SCHEMBL9539147

SCHEMBL9539147

CCN1CCC2(C)c3cc(O)cc(Br)c3N(C)C12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.44
OPRD1 P41143 11/20 0.44
OPRK1 P41145 11/20 0.44
SIGMAR1 Q99720 10/20 0.44
KDM4E B2RXH2 2/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 2/20 0.42
MTOR P42345 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
FTO Q9C0B1 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
SCHEMBL9537701 0.91 OPRM1 (0.47) OPRM1OPRD1OPRK1SIGMAR1KDM4E
Salicylic Acid SCHEMBL9537204 0.87 BCHE (0.45) OPRM1OPRD1OPRK1SIGMAR1KDM4E
SCHEMBL9537861 0.87 OPRK1 (0.47) OPRM1OPRD1OPRK1KDM4ETP53
SCHEMBL2455699 0.87 OPRK1 (0.47) OPRM1OPRD1OPRK1KDM4ETP53
SCHEMBL8827729 0.87 OPRK1 (0.47) OPRM1OPRD1OPRK1KDM4ETP53
SCHEMBL2455194 0.86 BCHE (0.48) SIGMAR1KDM4ETP53ALOX15MTOR
SCHEMBL2455192 0.86 BCHE (0.48) SIGMAR1KDM4ETP53ALOX15MTOR
SCHEMBL9538484 0.85 KDM4E (0.39) SIGMAR1KDM4ETP53ALOX15MTOR
SCHEMBL9540615 0.85 SIGMAR1 (0.48) OPRM1OPRD1OPRK1SIGMAR1MTOR
SCHEMBL2455610 0.85 KDM4E (0.39) SIGMAR1KDM4ETP53ALOX15MTOR

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
US-5187165-A Eseroline derivatives; cholinergic agents; antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-16 US disclosed