SCHEMBL8339768

SCHEMBL8339768

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
DHFR P00374 2/20 0.40
MAPT P10636 5/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 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)
SCHEMBL8337660 0.79 DRD4 (0.43) KMT2AMEN1DHFRMAPTDRD2
SCHEMBL6965306 0.78 HTR1A (0.43) KMT2AMEN1DHFRMAPTDRD2
SCHEMBL8340386 0.75 HTR7 (0.57) DRD2DRD4DRD3
SCHEMBL8341092 0.75 DRD2 (0.43) KMT2AMEN1DHFRMAPTDRD2
SCHEMBL6965271 0.74 HTR1A (0.48) KMT2AMEN1MAPTDRD2
SCHEMBL8339771 0.74 SOS1 (0.44) KMT2AMEN1DHFRHTR3A
SCHEMBL8337032 0.72 MEN1 (0.41) KMT2AMEN1MAPTDRD2DRD4
SCHEMBL8339061 0.70 KMT2A (0.49) KMT2AMEN1MAPTHDAC1HDAC6
SCHEMBL6965247 0.69 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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