SCHEMBL9761690

SCHEMBL9761690

CN1CCC[C@H](c2nccn2Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.49
CHRM1 P11229 4/20 0.49
HRH1 P35367 3/20 0.49
CYP2D6 P10635 2/20 0.49
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
LSS P48449 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL9762432 1.00 KCNH2 (0.49) KCNH2CHRM1HRH1CYP2D6CCNT1
SCHEMBL9761330 1.00 KCNH2 (0.49) KCNH2CHRM1HRH1CYP2D6CCNT1
SCHEMBL9762424 0.84 AVPR1A (0.47) KCNH2OPRD1OPRK1
SCHEMBL27757638 0.84 KCNH2 (0.48) KCNH2CYP2D6OPRD1OPRK1
SCHEMBL28019128 0.76 HRH3 (0.42) KCNH2
SCHEMBL9761678 0.75 KCNH2 (0.55) KCNH2CHRM1HRH1CYP2D6LSS
SCHEMBL9762594 0.75 KCNH2 (0.55) KCNH2CHRM1HRH1CYP2D6LSS
SCHEMBL9762662 0.75 KCNH2 (0.55) KCNH2CHRM1HRH1CYP2D6LSS
SCHEMBL10436396 0.73 KCNH2 (0.43) KCNH2CHRM1HRH1
SCHEMBL10436395 0.73 KCNH2 (0.43) KCNH2CHRM1HRH1

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