SCHEMBL24912508

SCHEMBL24912508

CC[C@H](C)N1CC[C@H]2CCCC[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
ALDH1A1 P00352 1/20 0.31
SHBG P04278 1/20 0.30
TSHR P16473 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
SCHEMBL18526557 1.00 DRD2 (0.36) DRD2DRD3HRH3OPRM1OPRL1
SCHEMBL20178652 0.88 SHBG (0.39) DRD2DRD3HRH3OPRM1OPRL1
SCHEMBL10236309 0.88 SHBG (0.39) DRD2DRD3HRH3OPRM1OPRL1
SCHEMBL25707668 0.85 HRH3 (0.37) DRD2DRD3HRH3OPRM1OPRL1
SCHEMBL18885421 0.84 SHBG (0.34) DRD2DRD3HRH3SHBGTSHR
SCHEMBL18526364 0.83 UBE2M (0.33) OPRM1OPRL1
SCHEMBL24783210 0.82 HRH3 (0.35) DRD2DRD3HRH3OPRM1OPRL1
SCHEMBL13910210 0.79 ALDH1A1 (0.36) DRD2DRD3HRH3ALDH1A1
SCHEMBL23231154 0.79 ALDH1A1 (0.36) DRD2DRD3HRH3ALDH1A1
SCHEMBL2603329 0.79 ALDH1A1 (0.36) DRD2DRD3HRH3ALDH1A1

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-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed