SCHEMBL18685446

SCHEMBL18685446

CCCCC1(CCC)CCN(C)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
OPRL1 P41146 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL14885151 0.93 CHRM2 (0.34) CHRM2CHRM3
SCHEMBL27343378 0.92 OPRM1 (0.32) GNAI3GNAO1GNAI1OPRM1OPRD1
SCHEMBL25518969 0.85
SCHEMBL8179035 0.84 CHRM2 (0.32) CHRM2CHRM3
SCHEMBL23183040 0.83 TSHR (0.33)
SCHEMBL22317901 0.83 S1PR1 (0.34) GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL26789889 0.82
SCHEMBL19321830 0.80 KDM4E (0.37) OPRM1OPRD1OPRK1CHRM2CHRM3
SCHEMBL23508955 0.80 PTPN11 (0.35) CHRM2CHRM3
SCHEMBL15026989 0.79 DRD4 (0.32) OPRM1

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
EP-3919494-B1 JANUS KINASE (JAK) FAMILY INHIBITOR, PREPARATION OF SAME, AND APPLICATIONS THEREOF JIANGSU VCARE PHARMATECH CO LTD (CN) 2023-05-24 EP disclosed
WO-2020160198-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed
EP-2766346-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-03-29 EP disclosed