SCHEMBL10668329

SCHEMBL10668329

CN1CCN(Cc2nnc(S)n2Cc2cccc(O)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.45
▸ AVPR1A P37288 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ DRD2 P14416 2/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ GBA1 P04062 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HBB P68871 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHKA P35790 1/20 0.36

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
SCHEMBL10671837 0.87 BRD4 (0.46) BRD4AVPR1AMC4RGBA1ALDH1A1
SCHEMBL10649474 0.86 ALDH1A1 (0.47) BRD4AVPR1AMC4RDRD2DRD3
SCHEMBL10671525 0.86 SMN1; SMN2 (0.47) BRD4AVPR1AMC4RALDH1A1KDM4E
SCHEMBL10648058 0.85 MC4R (0.59) AVPR1AMC4RALDH1A1ALOX15HSD17B10
SCHEMBL10646620 0.84 SIGMAR1 (0.54) ALDH1A1HSD17B10KDM4EGAA
SCHEMBL10650122 0.83 KDM4E (0.50) BRD4AVPR1ADRD2DRD3ALDH1A1
SCHEMBL10671068 0.83 HRH3 (0.44) BRD4AVPR1AMC4RDRD2DRD3
SCHEMBL10648303 0.82 MEN1 (0.40) BRD4AVPR1AALDH1A1KDM4EGAA
SCHEMBL10651709 0.81 LMNA (0.44) AVPR1AMC4RALDH1A1HRH4HRH3
SCHEMBL10370696 0.80 MC4R (0.62) BCL2L1MC4RDRD2DRD3ALDH1A1

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-4761415-A HYPOTENSIVE SMITHKLINE BECKMAN CORPORATION (US) 1988-08-02 — — US disclosed
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