SCHEMBL7147229

SCHEMBL7147229

COc1ccc([C@@H](O)CNC(C)Cc2ccccc2)cc1NC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 10/20 0.57
▸ ADRB1 P08588 8/20 0.57
▸ ADRB2 P07550 11/20 0.53
▸ DRD2 P14416 2/20 0.51
▸ PGR P06401 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ CASP3 P42574 1/20 0.50
▸ CASP6 P55212 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7147232 1.00 ADRB3 (0.57) ADRB3ADRB1ADRB2DRD2PGR
SCHEMBL10658750 0.86 ADRB2 (0.50) ADRB3ADRB1ADRB2ADRA1ACASP3
SCHEMBL7152166 0.86 ADRB2 (0.61) ADRB3ADRB1ADRB2DRD2PGR
SCHEMBL7152175 0.86 ADRB2 (0.61) ADRB3ADRB1ADRB2DRD2PGR
SCHEMBL13906446 0.86 ADRB2 (0.61) ADRB3ADRB1ADRB2DRD2PGR
SCHEMBL7150621 0.84 ADRB2 (0.62) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7150618 0.84 ADRB2 (0.62) ADRB3ADRB1ADRB2CASP3CASP6
SCHEMBL7153505 0.81 ADRB2 (0.58) ADRB3ADRB1ADRB2DRD2PGR
SCHEMBL7153507 0.81 ADRB2 (0.58) ADRB3ADRB1ADRB2DRD2PGR
SCHEMBL16249283 0.80 ADRB2 (0.74) ADRB3ADRB1ADRB2DRD2PGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030143701-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. 2003-07-31 — — US disclosed
EP-0924194-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-05-14 — — EP disclosed
US-6528686-B1 Reacting primary amine and ketone functionalized derivatives; catalytically reducing DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-04 — — US disclosed
EP-0924193-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2003-02-19 — — EP disclosed
EP-0939134-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2002-09-11 — — EP disclosed
US-6114582-A DECYCLIZATION TO FORM A CHEMICAL INTERMEDIATE FOR PRODUCING AN ANTI-OBESITY AGENT AND ANTIDIABETIC AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-05 — — US disclosed
EP-0654534-B1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEM (JP) 2000-03-01 — — EP disclosed
EP-0939134-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-01 — — EP disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 — — EP disclosed
EP-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 — — EP disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 — — US disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 — — US disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 — — EP disclosed
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