SCHEMBL6965247

SCHEMBL6965247

CC(=O)OC(CN1CCN(c2ccc(F)cc2)CC1)Cn1c(C)nc2cc(F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.44
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL8337032 0.88 MEN1 (0.41) ABCB1MAPTSMN1; SMN2HTT
SCHEMBL6965271 0.84 HTR1A (0.48) ABCB1MAPT
SCHEMBL8341092 0.83 DRD2 (0.43) ABCB1MAPTSMN1; SMN2HTT
SCHEMBL6839501 0.76 HTR1A (0.48) SLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL27464076 0.76 ABCB1 (0.47) ABCB1MAPTSMN1; SMN2
SCHEMBL8337660 0.74 DRD4 (0.43) MAPT
SCHEMBL6839523 0.74 MAPT (0.57) ABCB1MAPTSMN1; SMN2HTT
SCHEMBL6965306 0.72 HTR1A (0.43) MAPT
SCHEMBL8340386 0.70 HTR7 (0.57) HTR2ASLC6A4
SCHEMBL8339768 0.69 KMT2A (0.41) 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