SCHEMBL7964049

SCHEMBL7964049

NNC(=O)NNCCCN1CCC(O)(c2cccs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.48
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
DRD2 P14416 4/20 0.39
ADRA1A P35348 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL7964051 0.82 CCR1 (0.52) CCR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL7967897 0.79 GLA (0.44) GLAGAADRD2ADRA1ALMNA
SCHEMBL7961380 0.78 DRD2 (0.54) CCR1DRD2ADRA1A
SCHEMBL7960233 0.78 CCR1 (0.54) CCR1DRD2ADRA1A
SCHEMBL7960074 0.78 DRD2 (0.62) CCR1DRD2ADRA1A
SCHEMBL7949619 0.78 DRD2 (0.53) CCR1OPRM1OPRK1DRD2ADRA1A
SCHEMBL7949530 0.77 DRD2 (0.56) CCR1DRD2ADRA1A
SCHEMBL7959852 0.77 KDM4E (0.47) CCR1OPRL1DRD2ADRA1A
SCHEMBL7957164 0.77 DRD2 (0.56) CCR1DRD2
SCHEMBL7963515 0.77 CCR1 (0.58) CCR1OPRL1DRD2ADRA1A

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-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed