SCHEMBL6967924

SCHEMBL6967924

CC(CCn1c(=O)[nH]c2cc(F)ccc21)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.49
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
HTR7 P34969 5/20 0.42
DAO P14920 1/20 0.42
RAD52 P43351 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6843595 0.77 HTR1A (0.50) HTR1AHPGDMAPTLMNAPOLB
SCHEMBL6965306 0.75 HTR1A (0.43) HTR1AMAPTGAARAD52
SCHEMBL8120002 0.74 HTR7 (0.61) HTR1ALMNAHTR7
SCHEMBL4084811 0.72 DAO (0.55) LMNASMN1; SMN2DAO
SCHEMBL8486092 0.72 HTR1A (0.44) HTR1AMAPTLMNAMAPK1SMN1; SMN2
SCHEMBL12124686 0.71 SLC6A2 (0.67) HPGDMAPTLMNAPOLBMAPK1
SCHEMBL6843885 0.70 HTR1A (0.52) HTR1AHPGDMAPTLMNAPOLB
SCHEMBL9757317 0.70 RAD52 (0.54) HTR1AMAPTLMNAPOLBMAPK1
SCHEMBL9757259 0.70 HTR1A (0.52) HTR1AMAPTLMNAMAPK1GAA
SCHEMBL6961264 0.70 HTR1A (0.52) HTR1AMAPTLMNAMAPK1GAA

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-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-05-28 EP claimed
WO-1996004250-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1996-02-15 WO claimed
EP-0775118-B1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER (US) 2003-06-04 EP disclosed
WO-1996004250-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1996-02-15 WO disclosed