SCHEMBL11241310

SCHEMBL11241310

CCCCCCCCc1ccc(N(c2ccc(CCCCCCCC)cc2)C2(c3ccc(N(CC)CC)cc3C)OC(=O)c3nccnc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.32
SRC P12931 2/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CRHBP P24387 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
RARB P10826 1/20 0.31
TRPV1 Q8NER1 4/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31

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
SCHEMBL11237151 0.91 LMNA (0.32) CNR2SRCCYP2C19TRPV1CA12
SCHEMBL11232619 0.88 FFAR4 (0.35) CNR2RARBTRPV1CA12CA1
SCHEMBL11239963 0.88 CNR2 (0.36) CNR2ALDH1A1CYP3A4HPGDMEN1
SCHEMBL11233667 0.86 RPS6KA2 (0.37) ALDH1A1CYP3A4HPGDMEN1CYP2C19
SCHEMBL11237305 0.85 S100B (0.34) ALDH1A1CYP3A4HPGDMEN1CYP2C19
SCHEMBL11372341 0.83 CA12 (0.38) CNR2ALDH1A1MEN1CYP2C19KMT2A
SCHEMBL11245434 0.83 TRPV1 (0.35) CNR2CYP2C19RARBTRPV1CA12
SCHEMBL11239324 0.83 TRPV1 (0.35) CNR2CYP2C19RARBTRPV1CA12
SCHEMBL11249686 0.81 TRPV1 (0.34) CNR2ALDH1A1CYP3A4HPGDCYP1A2
SCHEMBL8944016 0.77 S100B (0.38) ALDH1A1CYP3A4HPGDMEN1CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337340-A FROM DIPHENYLAMINES AND BENZOYL OR 3-INDOLYLCARBONYL PYRIDINE- OR PYRAZINECARBOXYLIC ACIDS STERLING DRUG INC. (US) 1982-06-29 US disclosed
US-4243250-A FUROPYRIDINONES OR FUROPYRAZINONES AS COLOR FORMERS STERLING DRUG INC. (US) 1981-01-06 US disclosed
US-4211872-A COLOR FORMERS FREEDOM CHEMICAL COMPANY 1980-07-08 US disclosed