SCHEMBL7937104

SCHEMBL7937104

CC(Cc1ccccc1)NCC(O)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 11/20 0.75
▸ ADRB1 P08588 5/20 0.72
▸ ADRB3 P13945 4/20 0.72
▸ CYP3A4 P08684 3/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ ADORA3 P0DMS8 2/20 0.59
▸ SLC6A2 P23975 2/20 0.59
▸ HTR2A P28223 2/20 0.59
▸ SLC6A4 P31645 2/20 0.59
▸ MC4R P32245 2/20 0.59
▸ ADRA1A P35348 2/20 0.59
▸ OPRM1 P35372 2/20 0.59
▸ SLC6A3 Q01959 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ CYP2D6 P10635 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ PTGS1 P23219 1/20 0.59
▸ MC3R P41968 1/20 0.59

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
SCHEMBL7149115 1.00 ADRB2 (0.75) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL7149113 1.00 ADRB2 (0.75) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL9468004 0.94 ADRB1 (0.69) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL7151266 0.92 ADRB1 (0.80) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL9468422 0.92 ADRB1 (0.80) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL7151262 0.92 ADRB1 (0.80) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL7150598 0.91 ADRB1 (0.69) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL11174787 0.91 ADRB1 (0.69) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL7150596 0.91 ADRB1 (0.69) ADRB2ADRB1ADRB3CYP3A4MAPK1
SCHEMBL7149121 0.91 ADRB1 (0.69) ADRB2ADRB1ADRB3CYP3A4MAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248573-B1 SULFONYLATING OR HALOGENATING A (S)-1-PHENYL-2-PROPANOL DERIVATIVE TO PRODUCE (S)-1-PHENYL-2-SUBSTITUTED PROPANE DERIVATIVE; CHEMICAL INTERMEDIATE FOR SYNTHESIS OF ANTIOBESITY DRUG DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 — — US 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
US-5902900-A OPTICAL PURITY, USE AS ANTI-OBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-05-11 — — US disclosed
US-5679557-A Process of asymmetrically reducing 1-phenyl-2-oxo-propane derivatives with microorganisms DAICEL CHEMICAL INDUSTRIES, LIMITED (JP) 1997-10-21 — — US disclosed
EP-0627397-B1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEM (JP) 1997-01-02 — — EP disclosed
US-5508461-A ANTIOBESITY AGENTS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-16 — — US disclosed
EP-0627397-A1 Optically active 1-phenyl-2-substituted propane derivatives and methods of producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-07 — — EP disclosed
US-4490392-A Benzylalcohol derivative and process for preparing TANABE SEIYAKU CO., LTD. (JP) 1984-12-25 — — US disclosed
Send feedback