SCHEMBL15975463

SCHEMBL15975463

COc1ccc(N2CCN(CC[C@H](OC(N)=O)c3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 1.00
HTR2A P28223 1/20 1.00
HTR2B P41595 1/20 1.00
SIGMAR1 Q99720 1/20 1.00
HTR1A P08908 1/20 0.68

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
SCHEMBL3408820 1.00 ADRB1 (1.00) ADRB1HTR2AHTR2BSIGMAR1HTR1A
SCHEMBL2116006 1.00 ADRB1 (1.00) ADRB1HTR2AHTR2BSIGMAR1HTR1A
SCHEMBL2113509 0.96 ADRB1 (0.92) ADRB1HTR2AHTR2BSIGMAR1HTR1A
SCHEMBL2116197 0.94 ADRB1 (0.89) ADRB1HTR2AHTR2BSIGMAR1HTR1A
SCHEMBL2115094 0.91 ADRB1 (0.84) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2116110 0.90 ADRB1 (0.82) ADRB1HTR2AHTR2BSIGMAR1HTR1A
SCHEMBL2114362 0.90 ADRB1 (0.82) ADRB1HTR2AHTR2BSIGMAR1HTR1A
SCHEMBL2116255 0.90 ADRB1 (0.80) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL2118192 0.89 ADRB1 (0.80) ADRB1HTR2AHTR2BSIGMAR1HTR1A
SCHEMBL2113938 0.89 ADRB1 (0.80) ADRB1HTR2AHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815852-B2 Carbamoyloxy arylalkan arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-08-26 US disclosed
US-8815852-B2 Carbamoyloxy arylalkan arylpiperazine analgesics SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-08-26 US disclosed