SCHEMBL9535375

SCHEMBL9535375

CCOCCn1c(OC2CCN(C(=O)OCC)CC2)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.55
KDM4E B2RXH2 3/20 0.50
KCNH2 Q12809 2/20 0.49
CHRM1 P11229 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL19924890 0.85 HRH1 (0.74) HRH1KDM4EKCNH2CHRM1
SCHEMBL9535563 0.82 TP53 (0.51) HRH1KCNH2CHRM1ALDH1A1SMN1; SMN2
SCHEMBL7985310 0.82 KDM4E (0.56) HRH1KDM4EKCNH2ALDH1A1HSD17B10
SCHEMBL8138397 0.81 ALDH1A1 (0.43) KDM4ECHRM1ALDH1A1HSD17B10MAPT
SCHEMBL8566268 0.80 ALDH1A1 (0.42) HRH1KDM4ECHRM1ALDH1A1HSD17B10
SCHEMBL9536951 0.79 KDM4E (0.53) HRH1KDM4EKCNH2ALDH1A1HSD17B10
SCHEMBL6597555 0.77 ALDH1A1 (0.59) ALDH1A1
SCHEMBL992547 0.76 HRH1 (0.66) HRH1KDM4EKCNH2CHRM1ALDH1A1
SCHEMBL7865017 0.76 HRH1 (0.44) HRH1KDM4EKCNH2CHRM1
SCHEMBL7865024 0.76 HRH1 (0.44) HRH1KDM4EKCNH2CHRM1

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-0282133-B1 1-ALKYL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-28 EP disclosed
US-4943580-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0282133-A2 1-alkyl substituted benzimidazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-09-14 EP disclosed