SCHEMBL7329378

SCHEMBL7329378

Fc1ccc(-c2csc(Nc3nc4c(c(-c5ccccc5)n3)CNCC4)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 12/20 0.59
▸ HTR2C P28335 12/20 0.59
▸ HTR2B P41595 12/20 0.59
▸ NPY5R Q15761 1/20 0.51
▸ MEN1 O00255 4/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALOX5 P09917 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
SCHEMBL7328447 0.94 MEN1 (0.50) HTR2AHTR2CHTR2BMEN1NPC1
SCHEMBL7331115 0.90 ALOX5 (0.51) HTR2AHTR2CHTR2BMEN1NPC1
SCHEMBL7333786 0.90 MEN1 (0.50) HTR2AHTR2CHTR2BMEN1NPC1
SCHEMBL7334714 0.88 KMT2A (0.53) MEN1NPC1RAB9AKMT2ASENP8
SCHEMBL183435 0.75 HTR2A (1.00) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL9658377 0.71 HTR2A (0.61) HTR2AHTR2CHTR2B
SCHEMBL7328556 0.70 MEN1 (0.47) MEN1NPC1RAB9AKMT2ASENP8
SCHEMBL1820221 0.69 NPY5R (0.88) NPY5RMEN1NPC1RAB9AKMT2A
SCHEMBL29276759 0.69 NPY5R (1.00) NPY5RMEN1NPC1RAB9AKMT2A
SCHEMBL183797 0.69 HTR2C (1.00) HTR2AHTR2CHTR2B

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-5405848-A Substituted thiazolylaminotetrahydropyridopyrimidines derivatives useful as platelet aggregation inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1995-04-11 — — US claimed
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