SCHEMBL6965306

SCHEMBL6965306

Cc1nc2cc(F)ccc2n1CCC(C)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
DHFR P00374 2/20 0.40
RAD52 P43351 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
MAPT P10636 3/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6839501 0.81 HTR1A (0.48) HTR1A
SCHEMBL8341092 0.79 DRD2 (0.43) KMT2AMEN1DHFRDRD2DRD4
SCHEMBL6965271 0.78 HTR1A (0.48) HTR1AKMT2AMEN1DRD2MAPT
SCHEMBL8339768 0.78 KMT2A (0.41) KMT2AMEN1DHFRDRD2DRD4
SCHEMBL6967924 0.75 HTR1A (0.49) HTR1ARAD52MAPTGAA
SCHEMBL8337660 0.75 DRD4 (0.43) KMT2AMEN1DHFRDRD2DRD4
SCHEMBL8340386 0.75 HTR7 (0.57) HTR1ADRD2DRD4DRD3
SCHEMBL8337032 0.74 MEN1 (0.41) KMT2AMEN1DRD2DRD4DRD3
SCHEMBL8335037 0.72 SOS1 (0.44) KMT2ADHFRHTR3A
SCHEMBL6965247 0.72 ABCB1 (0.44) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775118-B1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER (US) 2003-06-04 EP disclosed
US-5889010-A PSYCHOLOGICAL DISORDERS; UROGENITAL DISORDERS; COGNITION ACTIVATORS; NERVOUS SYSTEM DISORDERS; VISION DEFECTS; CONGESTIVE HEART FAILURE; DRUG ABRUSE; PARKINSON'S DISEASE;ANTIINFLAMMATORY AGENTS; ANTIALLERGENS PFIZER INC. (US) 1999-03-30 US disclosed
EP-0775118-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-05-28 EP disclosed
WO-1996004250-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1996-02-15 WO disclosed