SCHEMBL8409097

SCHEMBL8409097

Cc1nccn1-c1ccc(COc2ccc(C3(C(N)=O)CCCCC3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.64
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PORCN Q9H237 1/20 0.41
PARP10 Q53GL7 2/20 0.40
LMNA P02545 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
GRM5 P41594 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
SCHEMBL8409170 0.99 ALOX5 (0.65) ALOX5CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL8408893 0.97 ALOX5 (0.65) ALOX5CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL8413029 0.95 ALOX5 (0.67) ALOX5CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL7807384 0.87 ALOX5 (0.66) ALOX5GRM5
SCHEMBL7802468 0.87 ALOX5 (0.84) ALOX5CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL7802752 0.86 ALOX5 (0.85) ALOX5CYP3A4CYP2D6CYP1A2CYP19A1
SCHEMBL7809136 0.85 ALOX5 (0.66) ALOX5GRM5
SCHEMBL7811098 0.83 ALOX5 (0.68) ALOX5GRM5
SCHEMBL7815083 0.79 ALOX5 (0.78) ALOX5
SCHEMBL2436940 0.78 ALOX5 (1.00) ALOX5

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-5883106-A 5-lipoxygenase inhibitors PFIZER INC. (US) 1999-03-16 US disclosed