SCHEMBL9544455

SCHEMBL9544455

Nc1ccccc1C(=O)NCCN1CCC(CCc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
KCNH2 Q12809 4/20 0.46
NR4A2 P43354 1/20 0.46
SSTR5 P35346 3/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 2/20 0.45
TACR2 P21452 2/20 0.45
TACR1 P25103 2/20 0.45
HRH1 P35367 2/20 0.45
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CHRM4 P08173 2/20 0.43
MCHR1 Q99705 1/20 0.43
MEN1 O00255 1/20 0.43
MLNR O43193 1/20 0.43
CACNA1F O60840 1/20 0.43
EED O75530 1/20 0.43
USP2 O75604 1/20 0.43
ABCB11 O95342 1/20 0.43

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
SCHEMBL10547215 0.92 POLB (0.49) POLBKCNH2NR4A2SSTR5TACR2
SCHEMBL10549253 0.87 CCR3 (0.52) POLBKCNH2NR4A2SSTR5TACR2
SCHEMBL9740976 0.84 SSTR5 (0.65) KCNH2NR4A2SSTR5TP53MAPT
SCHEMBL10546904 0.83 HRH1 (0.46) POLBKCNH2NR4A2SSTR5TP53
Oxalic Acid SCHEMBL9537142 0.82 HPGD (0.43) POLBTP53MAPTGAASMN1; SMN2
Oxalic Acid SCHEMBL9537131 0.82 HPGD (0.43) POLBTP53MAPTGAASMN1; SMN2
SCHEMBL10552594 0.81 LMNA (0.54) POLBTP53MAPTLMNA
SCHEMBL9537486 0.81 POLB (0.48) POLBKCNH2NR4A2SSTR5TP53
SCHEMBL9536186 0.80 MAPT (0.56) POLBSSTR5TP53MAPTGAA
SCHEMBL9536847 0.80 KCNH2 (0.49) POLBKCNH2NR4A2SSTR5TP53

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
WO-1993014083-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-22 WO disclosed