SCHEMBL7863954

SCHEMBL7863954

CCCCCCCCCCN(C)c1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
DNM1 Q05193 3/20 0.41
GPR84 Q9NQS5 2/20 0.39
TRPV1 Q8NER1 6/20 0.37
KCNH2 Q12809 2/20 0.35
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 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
SCHEMBL7771812 1.00 MAPT (0.45) MAPTDNM1GPR84TRPV1KCNH2
SCHEMBL3452064 1.00 MAPT (0.45) MAPTDNM1GPR84TRPV1KCNH2
SCHEMBL7770559 1.00 MAPT (0.45) MAPTDNM1GPR84TRPV1KCNH2
SCHEMBL4767465 0.92 MAPT (0.51) MAPTGPR84TRPV1
SCHEMBL2444957 0.84 MAPT (0.38) MAPTTRPV1
SCHEMBL2460601 0.82 DNM1 (0.38) DNM1KCNH2NPC1JAK2RAB9A
SCHEMBL9800597 0.82 DNM1 (0.38) DNM1KCNH2NPC1JAK2RAB9A
SCHEMBL9800564 0.82 DNM1 (0.38) DNM1KCNH2NPC1JAK2RAB9A
SCHEMBL94910 0.80 NPC1 (0.51) MAPTDNM1TRPV1KCNH2NPC1
SCHEMBL21916561 0.80 NPC1 (0.51) MAPTDNM1TRPV1KCNH2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623608-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 2001-05-30 EP disclosed
EP-0623608-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1994-11-09 EP disclosed