SCHEMBL7807664

SCHEMBL7807664

Cc1nccn1-c1ccc(COc2cccc(C3(C#N)CCC3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.52
GRM5 P41594 1/20 0.44
ICMT O60725 3/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7811083 0.92 ALOX5 (0.61) ALOX5GRM5
SCHEMBL7809136 0.81 ALOX5 (0.66) ALOX5GRM5
SCHEMBL7807384 0.79 ALOX5 (0.66) ALOX5GRM5
SCHEMBL7802398 0.78 ALOX5 (0.48) ALOX5ICMTKMT2ACYP1A2CYP3A4
SCHEMBL7811098 0.78 ALOX5 (0.68) ALOX5GRM5
SCHEMBL8696022 0.78 ALOX5 (0.77) ALOX5
SCHEMBL7815083 0.75 ALOX5 (0.78) ALOX5
SCHEMBL8411714 0.74 ALOX5 (0.41) ALOX5CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL8783842 0.73 ALOX5 (0.60) ALOX5
SCHEMBL6571511 0.71 ALOX5 (0.68) ALOX5KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787127-B1 5-LIPOXYGENASE INHIBITORS PFIZER (US) 2001-01-03 EP disclosed
US-6063928-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, CARDIOTONIC AGENTS PFIZER INC (US) 2000-05-16 US disclosed
EP-0787127-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1997-08-06 EP disclosed
WO-1996011911-A1 5-LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1996-04-25 WO disclosed