SCHEMBL9762424

SCHEMBL9762424

CN1CCC(c2nccn2Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.47
OPRD1 P41143 3/20 0.45
OPRK1 P41145 2/20 0.45
MC4R P32245 1/20 0.44
KCNH2 Q12809 3/20 0.43
HRH4 Q9H3N8 1/20 0.41
OPRM1 P35372 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
BRD4 O60885 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL9762644 0.86 KCNH2 (0.45) KCNH2
SCHEMBL27757638 0.85 KCNH2 (0.48) OPRD1OPRK1KCNH2HSD17B10ALDH1A1
SCHEMBL9761330 0.84 KCNH2 (0.49) OPRD1OPRK1KCNH2
SCHEMBL9761690 0.84 KCNH2 (0.49) OPRD1OPRK1KCNH2
SCHEMBL9762432 0.84 KCNH2 (0.49) OPRD1OPRK1KCNH2
SCHEMBL17001797 0.76 SMN1; SMN2 (0.38) OPRD1OPRK1KCNH2ALDH1A1
SCHEMBL8865490 0.75 HSD17B10 (0.47) OPRD1OPRK1HSD17B10ALDH1A1TDP1
SCHEMBL17001812 0.75 HRH1 (0.37) KCNH2HSD17B10ALDH1A1
SCHEMBL17001796 0.74 KCNH2 (0.34) AVPR1AKCNH2
SCHEMBL20320078 0.74 CARM1 (0.39) AVPR1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071855-A Antihistamines, antiallergens DOMPE FARMACEUTICI SPA (IT) 1991-12-10 US disclosed
EP-0397614-A2 Pharmacologically active piperdinylimidazopyridines DOMPE' FARMACEUTICI S.p.A. (IT) 1990-11-14 EP disclosed