SCHEMBL11255635

SCHEMBL11255635

CC(=O)N(c1nc2cc3nc(N(C(C)=O)N(C)C4CCCC4)sc3cc2s1)N(C)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.41
▸ RAD52 P43351 1/20 0.40
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ OPRM1 P35372 4/20 0.37
▸ OPRD1 P41143 4/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CSF1R P07333 2/20 0.35
▸ CXCR3 P49682 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL11270915 0.99 HTR2C (0.40) HTR2CRAD52HCRTR1HCRTR2RAB9A
SCHEMBL11271015 0.99 HTR2C (0.40) HTR2CRAD52HCRTR1HCRTR2RAB9A
Hydrochloric Acid SCHEMBL11273062 0.97 RAD52 (0.41) HTR2CRAD52HCRTR1HCRTR2RAB9A
SCHEMBL11254540 0.80 HTR2C (0.45) HTR2CRAD52RAB9AHTTNPC1
SCHEMBL11256909 0.74 ALDH1A1 (0.39) HTR2CRAD52RAB9ANPC1PKM
SCHEMBL11256677 0.73 HTR2C (0.42) HTR2CRAD52RAB9AHTTNPC1
SCHEMBL11253928 0.73 HTR2C (0.40) HTR2CRAD52RAB9AHTTNPC1
SCHEMBL11270188 0.73 ALDH1A1 (0.41) HTR2CRAD52RAB9ANPC1PKM
SCHEMBL11264141 0.71 HTR2C (0.43) HTR2CRAD52RAB9AHTTNPC1
SCHEMBL11256894 0.71 KMT2A (0.37) HTR2CRAD52RAB9ANPC1PKM

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-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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