SCHEMBL7977296

SCHEMBL7977296

O=C(O)N(CCCc1c[nH]cn1)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.43
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
GLP1R P43220 1/20 0.36
GCGR P47871 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASR P41180 10/20 0.36
HTR2A P28223 2/20 0.36
HRH1 P35367 2/20 0.36
CHRM2 P08172 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL4379243 0.90 PTGDR2 (0.36) PTGDR2ALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL7433406 0.85 PTGDR2 (0.37) PTGDR2ALDH1A1CYP3A4TSHRCYP2C19
Hydrochloric Acid SCHEMBL7428983 0.84 PTGDR2 (0.36) PTGDR2ALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL7988259 0.84 AOC3 (0.35) PTGDR2KDM4EHRH1
SCHEMBL4379614 0.82 BRD4 (0.33) PTGDR2ALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL4376051 0.81 POLB (0.33) PTGDR2ALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL9119383 0.81 CYP19A1 (0.43) HTR2AHRH1
SCHEMBL7286799 0.80 SIGMAR1 (0.38) PTGDR2TSHRLMNAL3MBTL1HTR2A
SCHEMBL7285523 0.80 CYP19A1 (0.40) PTGDR2ALDH1A1LMNAHTR2AHRH1
SCHEMBL9122156 0.80 HRH1 (0.42) HTR2AHRH1

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-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed