SCHEMBL24267397

SCHEMBL24267397

CN1CCC2(C1)CN(CC1CCNCC1)C2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.36
TSHR P16473 1/20 0.35
GNAO1 P09471 4/20 0.35
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
GNAI3 P08754 3/20 0.30
GNAI1 P63096 3/20 0.30
KDM1A O60341 1/20 0.30
MAOB P27338 1/20 0.30
RCOR1 Q9UKL0 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
SCHEMBL24267132 0.92 GBA1 (0.36) GBA1TSHRGNAO1OPRM1OPRL1
SCHEMBL24866010 0.85 GBA1 (0.36) GBA1TSHRGNAO1OPRM1OPRL1
SCHEMBL24319374 0.85 NCF1 (0.39) TSHROPRM1OPRL1CACNA2D1CACNA1B
SCHEMBL24481344 0.83 GBA1 (0.37) GBA1TSHRGNAO1OPRM1OPRL1
SCHEMBL27268150 0.79 TSHR (0.39) GBA1TSHRGNAO1CACNA2D1CACNA1B
SCHEMBL24717358 0.79 CYP2D6 (0.36) GBA1TSHRKDM1AMAOBRCOR1
SCHEMBL24480580 0.78 GNAO1 (0.34) GBA1GNAO1CACNA2D1CACNA1BCACNB1
SCHEMBL22565135 0.78 NCF1 (0.42) TSHRGNAO1OPRM1OPRL1CACNA2D1
SCHEMBL24267159 0.77 NCF1 (0.38) TSHROPRM1OPRL1CACNA2D1CACNA1B
SCHEMBL22564921 0.76 TSHR (0.44) GBA1TSHROPRM1OPRL1KDM1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3957633-A1 A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2022-02-23 EP disclosed