SCHEMBL7591807

SCHEMBL7591807

COc1ccc(CNC(=O)Oc2ccc(-c3ccccc3N3CCN(C)CC3)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.49
HTR7 P34969 14/20 0.49
DRD2 P14416 7/20 0.47
HTR6 P50406 6/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7586281 0.91 HTR1A (0.45) HTR1AHTR7DRD2HTR6KMT2A
SCHEMBL7591802 0.90 HTR1A (0.46) HTR1AHTR7DRD2HTR6KMT2A
SCHEMBL7591765 0.90 NPC1 (0.48) HTR1AHTR7DRD2KMT2AMEN1
SCHEMBL7162765 0.86 HTR1A (0.50) HTR1AHTR7DRD2HTR6KMT2A
Hydrochloric Acid SCHEMBL7159506 0.85 HTR1A (0.49) HTR1AHTR7DRD2HTR6KMT2A
SCHEMBL7587006 0.80 NPBWR1 (0.46) DRD2KMT2AMEN1USP2MAPT
SCHEMBL7583215 0.77 NPC1 (0.41) HTR1AHTR7DRD2HTR6KMT2A
SCHEMBL7160985 0.75 ESRRG (0.52) HTR1AHTR7DRD2
SCHEMBL7585905 0.75 NPSR1 (0.48) HTR1AHTR7DRD2HTR6KMT2A
SCHEMBL7257324 0.74 NPBWR1 (0.49) DRD2KMT2AMEN1USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957099-B1 Heterocyclic carboxamides PFIZER PROD INC (US) 2002-11-20 EP claimed