SCHEMBL5745163

SCHEMBL5745163

Cc1ccc(C(=O)N2CCC(NC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 5/20 0.49
HPGDS O60760 4/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MRGPRX1 Q96LB2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL3860102 1.00 PRKAA2 (0.49) PRKAA2HPGDSALDH1A1POLBMRGPRX1
SCHEMBL3866714 0.90 USP30 (0.54) PRKAA2HPGDSALDH1A1POLBSMN1; SMN2
SCHEMBL3868043 0.87 MAPT (0.48) HPGDSALDH1A1POLBSMN1; SMN2
SCHEMBL3857038 0.85 POLB (0.50) ALDH1A1POLBSMN1; SMN2
SCHEMBL5747491 0.85 POLB (0.50) ALDH1A1POLBSMN1; SMN2
SCHEMBL3862880 0.85 ALDH1A1 (0.53) HPGDSALDH1A1
SCHEMBL5746938 0.85 ALDH1A1 (0.53) HPGDSALDH1A1
SCHEMBL3860236 0.84 ALDH1A1 (0.47) ALDH1A1
SCHEMBL5747495 0.84 ALDH1A1 (0.47) ALDH1A1
SCHEMBL3861404 0.84 ALDH1A1 (0.55) HPGDSALDH1A1

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-1680415-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2006-07-19 EP disclosed
WO-2005035524-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENSIS INHIBITORS ABBOTT LABORATORIES (US) 2005-04-21 WO disclosed