SCHEMBL7741819

SCHEMBL7741819

N=C(N)[CH]CN1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CXCR4 P61073 2/20 0.31
NOS2 P35228 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4559034 0.79 CHRM5 (0.38) HRH3HSD17B10POLBSMN1; SMN2CXCR4
SCHEMBL1082345 0.74 HSD17B10 (0.38) HRH3HSD17B10POLBSMN1; SMN2CXCR4
SCHEMBL1705461 0.71 CHRM5 (0.42) HSD17B10POLBSMN1; SMN2CHRM5CHRM3
SCHEMBL9261652 0.70
SCHEMBL11393659 0.70
Urea SCHEMBL10753125 0.69 NPC1 (0.39) HRH3HSD17B10CHRM5CHRM3SIGMAR1
SCHEMBL22165291 0.68 CHRM5 (0.36) HSD17B10POLBSMN1; SMN2CHRM5CHRM3
SCHEMBL1234464 0.67 SIGMAR1 (0.38) HRH3HSD17B10POLBSMN1; SMN2CXCR4
SCHEMBL861272 0.67 SMN1; SMN2 (0.35) HRH3HSD17B10POLBSMN1; SMN2CXCR4
SCHEMBL175418 0.67 POLB (0.35) HRH3HSD17B10POLBSMN1; SMN2CXCR4

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
US-6423725-B1 ANALGESICS PFIZER INC 2002-07-23 US disclosed
EP-1049689-A1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2000-11-08 EP disclosed
WO-1999036421-A1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-22 WO disclosed