SCHEMBL7300063

SCHEMBL7300063

CCCCN(C)CCc1cccc(N)c1N

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
HTR2A P28223 5/20 0.41
HTR1A P08908 1/20 0.36
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR7 P34969 2/20 0.34
BCHE P06276 1/20 0.34
CD44 P16070 1/20 0.33

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
SCHEMBL659538 0.81 TLR8 (0.42) CYP1A2CYP2C9CYP2C19CD44
SCHEMBL4710713 0.79 HTR2A (0.51) SIGMAR1HTR2AHTR1AHTR2CHTR2B
SCHEMBL4763408 0.79 BID (0.47)
SCHEMBL7298930 0.78 HTR1A (0.59) HTR2AHTR1AHTR2BCYP2C9CYP2C19
SCHEMBL9163528 0.78 BID (0.50)
SCHEMBL9168071 0.78 BID (0.50)
SCHEMBL8088586 0.78 BID (0.50)
SCHEMBL9166810 0.78 BID (0.50)
SCHEMBL28748793 0.78 BID (0.50)
SCHEMBL10526794 0.78 BID (0.50)

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
EP-0304789-B1 BENZIMIDAZOLE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1993-03-17 EP disclosed
US-4925854-A Benzimidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1990-05-15 US disclosed
EP-0304789-A2 Benzimidazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1989-03-01 EP disclosed