SCHEMBL13594564

SCHEMBL13594564

C=CCOC(=O)Nc1ccc2c(c1)c(CNCCC)cn2Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 3/20 0.42
▸ ENPP2 Q13822 7/20 0.40
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ SHMT2 P34897 1/20 0.38
▸ PLA2G2A P14555 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL4402395 0.77 HASPIN (0.47) HASPINENPP2POLBPLA2G2A
SCHEMBL13594562 0.75 MAOB (0.59) —
SCHEMBL4402392 0.70 ICMT (0.45) HASPINMAPTPOLBPLA2G2A
SCHEMBL5073940 0.69 TGM2 (0.54) MAPT
SCHEMBL3850606 0.67 TUBB4A (0.55) MAPTPOLB
SCHEMBL14349999 0.65 TUBB4A (0.49) MAPTPOLB
SCHEMBL25855377 0.64 RAB9A (0.50) MAPTPOLB
SCHEMBL8804492 0.63 YES1 (0.54) MAPTPOLB
SCHEMBL3360235 0.63 SCD (0.73) —
SCHEMBL6699595 0.63 THRB (0.47) ENPP2MAPTPOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629319-B2 Heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-08 — — US disclosed
US-7618945-B2 Heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-11-17 — — US disclosed
US-7618945-B2 Heteroaryl peptidomimetics as thrombin receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-11-17 — — US disclosed
Send feedback