SCHEMBL26012567

SCHEMBL26012567

Cc1ccc2c(c1)C1(CCN(Cc3cnn(-c4ccccc4)c3)CC1)OC2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.56
▸ OPRK1 P41145 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ DRD4 P21917 10/20 0.51
▸ DRD2 P14416 9/20 0.51
▸ DRD3 P35462 9/20 0.51
▸ SIGMAR1 Q99720 1/20 0.47
▸ HTR1A P08908 2/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL26012147 0.88 DRD4 (0.56) OPRM1OPRK1KCNH2MEN1KMT2A
SCHEMBL26012636 0.85 MAPK1 (0.49) OPRM1OPRK1KCNH2MEN1KMT2A
SCHEMBL26013082 0.85 DRD4 (0.51) OPRM1OPRK1KCNH2MEN1KMT2A
SCHEMBL25359264 0.85 SIGMAR1 (0.46) OPRM1OPRK1KCNH2SIGMAR1
SCHEMBL30623468 0.85 SIGMAR1 (0.46) OPRM1OPRK1KCNH2SIGMAR1
SCHEMBL26012261 0.79 DRD4 (0.48) KCNH2MEN1KMT2ADRD4DRD2
SCHEMBL26012638 0.79 SIGMAR1 (0.56) KCNH2MEN1KMT2ADRD4DRD2
SCHEMBL26004214 0.77 SIGMAR1 (0.49) KCNH2MEN1KMT2ADRD4DRD2
SCHEMBL26004216 0.76 MEN1 (0.48) KCNH2MEN1KMT2ADRD4DRD2
SCHEMBL26012142 0.74 MEN1 (0.50) MEN1KMT2ADRD4DRD2DRD3

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
WO-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 — — WO disclosed
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