SCHEMBL9727202

SCHEMBL9727202

CN1CCC(NC(=O)c2occ3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
P2RX4 Q99571 1/20 0.46
KMT2A Q03164 1/20 0.45
POLR1A O95602 1/20 0.45
DRD4 P21917 6/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
DYRK1A Q13627 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9727135 0.82 DRD4 (0.67) DRD4
Dimethylamine SCHEMBL9852061 0.82 DRD4 (0.63) KMT2ADRD4
Hydrochloric Acid SCHEMBL9343553 0.82 HTR4 (0.48) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL9852142 0.80 CCR1 (0.54) DRD4NPC1RAB9A
SCHEMBL9727173 0.79 SIGMAR1 (0.57) DRD4
SCHEMBL9727123 0.79 DRD4 (0.69) DRD4
SCHEMBL9727095 0.79 DRD4 (0.72) DRD4ALDH1A1
SCHEMBL9852073 0.78 DRD4 (0.54) KCNH2KMT2ADRD4KDM4EALDH1A1
SCHEMBL30569390 0.77 MAOB (0.60) KCNH2P2RX4KMT2A
SCHEMBL9852082 0.76 DRD4 (0.73) KCNH2DRD4

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-5098915-A Antiarrhythmia agents G. D. SEARLE & CO. (US) 1992-03-24 US claimed
EP-0416581-A1 Substituted N-benzylpiperidine amides G.D. Searle & Co. (US) 1991-03-13 EP claimed