SCHEMBL6937323

SCHEMBL6937323

CC(C)N(CCC(c1ccccc1)c1cc(C(=O)O)ccc1OCc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
MRGPRX4 Q96LA9 6/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
RXRA P19793 3/20 0.41
EGFR P00533 1/20 0.41
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PTGER1 P34995 1/20 0.40
GLRA1 P23415 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL723428 0.89 CHRM2 (0.56) CHRM2CHRM1MRGPRX4POLBMAPT
SCHEMBL1783715 0.89 CHRM2 (0.56) CHRM2CHRM1MRGPRX4POLBMAPT
Hydrochloric Acid SCHEMBL597394 0.88 CHRM2 (0.55) CHRM2CHRM1MRGPRX4POLBMAPT
Hydrochloric Acid SCHEMBL597393 0.88 CHRM2 (0.55) CHRM2CHRM1MRGPRX4POLBMAPT
SCHEMBL6934653 0.84 CCR5 (0.46) CHRM2CHRM1ALDH1A1
SCHEMBL27556305 0.84 CHRM2 (0.48) CHRM2CHRM1MRGPRX4POLBMAPT
SCHEMBL27773494 0.84 CHRM2 (0.48) CHRM2CHRM1MRGPRX4POLBMAPT
SCHEMBL6934786 0.84 BCHE (0.43) CHRM2CHRM1MAPTALDH1A1
SCHEMBL5179164 0.81 CHRM2 (0.55) CHRM2CHRM1MRGPRX4POLBMAPT
SCHEMBL5179157 0.81 CHRM2 (0.55) CHRM2CHRM1MRGPRX4POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100482635-C Noval compounds, their use and preparation PFIZER HEALTH AB (SE) 2009-04-29 CN disclosed
CN-1636967-A Noval compounds, their use and preparation PFIZER (SE) 2005-07-13 CN disclosed
EP-1019358-B1 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PHARMACIA AB (SE) 2003-05-07 EP disclosed
US-6313132-B1 FOR THERAPY OF URINARY INCONTINENCE, ACETYLCHOLINE-MEDIATED DISORDER PHARMACIA AB (SE) 2001-11-06 US disclosed
EP-1019358-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia & Upjohn AB (SE) 2000-07-19 EP disclosed
CN-1251569-A Novel compounds, their use and process for their preparation PHARMACIA & UPJOHN AB (SE) 2000-04-26 CN disclosed
WO-1998043942-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-10-08 WO disclosed