SCHEMBL9370948

SCHEMBL9370948

Brc1ccc(CNCCCc2ncc[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
FPR2 P25090 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.47
CXCR4 P61073 1/20 0.44
TERT O14746 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
TBXAS1 P24557 2/20 0.39
TAAR1 Q96RJ0 2/20 0.38
FOLH1 Q04609 1/20 0.38
PYCR1 P32322 1/20 0.37
HTR2A P28223 2/20 0.37
BCHE P06276 1/20 0.37
HRH4 Q9H3N8 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
SCHEMBL8466104 0.86 CHRM2 (0.53) POLBLMNACXCR4TERTCA12
SCHEMBL9658713 0.85 TAAR1 (0.54) CYP2D6LMNATBXAS1TAAR1BCHE
Hydrochloric Acid SCHEMBL9368598 0.81 SCN8A (0.46) FPR2CXCR4TERTTBXAS1TAAR1
Hydrochloric Acid SCHEMBL3647287 0.80 TBXAS1 (0.50) FPR2LMNATERTTBXAS1TAAR1
SCHEMBL9368242 0.80 ROCK1 (0.49) CYP1A2CYP2D6CYP2C19CXCR4TERT
SCHEMBL27220846 0.79 TERT (0.56) TERTTBXAS1TAAR1
SCHEMBL6638641 0.76 TAAR1 (0.57) CYP2D6LMNATERTTAAR1BCHE
SCHEMBL10833089 0.75 FPR2 (0.73) FPR2CA12CA1CA2CA4
SCHEMBL9367766 0.74 NAMPT (0.46) LMNATERTTBXAS1TAAR1HRH4
SCHEMBL9368553 0.74 NAMPT (0.45) CXCR4TERTTBXAS1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618907-A1 1-(ARYLALKYL-AMINOALKYL)IMIDAZOLE DERIVATIVES, PROCESSES OF PREPARATION AND USE AS THERAPEUTICAL AGENTS Knoll AG (DE) 1994-10-12 EP disclosed