SCHEMBL7281686

SCHEMBL7281686

N#CCCCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.60
▸ CYP4A11 Q02928 1/20 0.60
▸ BCHE P06276 7/20 0.56
▸ MGLL Q99685 1/20 0.56
▸ GUSB P08236 1/20 0.54
▸ MAOB P27338 5/20 0.51
▸ NR4A2 P43354 1/20 0.51
▸ SGMS2 Q8NHU3 1/20 0.51

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
SCHEMBL8880568 0.84 LTA4H (0.64) BCHEMGLLGUSBMAOB
SCHEMBL8042202 0.81 MAOB (0.58) CYP4F2CYP4A11BCHEGUSBMAOB
SCHEMBL1636426 0.81 BCHE (0.58) CYP4F2CYP4A11BCHEGUSBMAOB
SCHEMBL8928219 0.80 CHRM2 (0.58) —
SCHEMBL2206195 0.80 CYP4F2 (0.66) CYP4F2CYP4A11BCHEMGLLMAOB
SCHEMBL19281462 0.80 CYP4F2 (0.66) CYP4F2CYP4A11BCHEMGLLMAOB
SCHEMBL3169044 0.80 CYP4F2 (0.66) CYP4F2CYP4A11BCHEMGLLMAOB
SCHEMBL4568936 0.80 CYP4F2 (0.66) CYP4F2CYP4A11BCHEMGLLMAOB
SCHEMBL16493762 0.80 CYP4F2 (0.66) CYP4F2CYP4A11BCHEMGLLMAOB
SCHEMBL3165628 0.80 CYP4F2 (0.81) CYP4F2CYP4A11BCHEMGLLMAOB

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-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 — — EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 — — US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 — — US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 — — EP disclosed
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