SCHEMBL8687698

SCHEMBL8687698

O=C1SC(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C(=O)N1Cc1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 10/20 0.49
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SOS1 Q07889 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ SRPK1 Q96SB4 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL8687830 0.89 TACR1 (0.45) TACR1KMT2AMEN1L3MBTL1MAPT
SCHEMBL8692541 0.88 C5AR1 (0.41) TACR1KMT2AMEN1MAPTTRPV1
SCHEMBL8687131 0.86 TACR1 (0.53) TACR1KMT2AMEN1L3MBTL1MAPT
SCHEMBL8687213 0.73 TACR1 (0.49) TACR1KMT2AMEN1MAPT
SCHEMBL8687249 0.71 ESRRA (0.45) —
SCHEMBL8687690 0.65 MEN1 (0.40) TACR1DRD2DRD4DRD3SOS1
SCHEMBL8811858 0.64 PPARG (0.42) MAPT
SCHEMBL31255159 0.64 GRM5 (0.46) KMT2AMEN1NPSR1
SCHEMBL8686712 0.64 TACR1 (0.40) TACR1KMT2AMEN1MAPTLMNA
SCHEMBL8688100 0.63 ESRRA (0.44) —

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-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 — — US disclosed
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