SCHEMBL12466595

SCHEMBL12466595

O=C(NCc1ccc2nc[nH]c2c1)N1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.55
▸ CHRNA7 P36544 2/20 0.50
▸ NAMPT P43490 1/20 0.46
▸ QPCT Q16769 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KIT P10721 1/20 0.45
▸ CYP2C9 P11712 4/20 0.44
▸ CYP2J2 P51589 4/20 0.44

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
SCHEMBL13873498 0.81 EPHX2 (0.64) EPHX2CHRNA7ALDH1A1TSHRSMN1; SMN2
SCHEMBL4114824 0.80 EPHX2 (0.70) EPHX2CHRNA7ALDH1A1TSHRCYP2C9
SCHEMBL13873825 0.79 EPHX2 (0.55) EPHX2CHRNA7ALDH1A1TSHRKIT
SCHEMBL4101221 0.79 EPHX2 (0.61) EPHX2CHRNA7ALDH1A1TSHRSMN1; SMN2
SCHEMBL4105262 0.79 CHRNA7 (0.66) EPHX2CHRNA7ALDH1A1TSHRSMN1; SMN2
SCHEMBL12466289 0.79 EPHX2 (0.61) EPHX2CHRNA7ALDH1A1TSHRSMN1; SMN2
SCHEMBL12466669 0.78 MEN1 (0.65) EPHX2
SCHEMBL4106438 0.77 EPHX2 (0.60) EPHX2CHRNA7ALDH1A1TSHRSMN1; SMN2
SCHEMBL7096653 0.77 EPHX2 (0.59) EPHX2CHRNA7ALDH1A1TSHRSMN1; SMN2
SCHEMBL13890321 0.77 EPHX2 (0.59) EPHX2CHRNA7ALDH1A1TSHRSMN1; SMN2

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-2668157-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS Proximagen Limited (GB) 2013-12-04 — — EP disclosed
WO-2012101453-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS PROXIMAGEN LTD. (GB) 2012-08-02 — — WO disclosed
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