SCHEMBL11545277

SCHEMBL11545277

COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Nc4cc(C(F)(F)F)nc5ccccc45)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.58
USP2 O75604 3/20 0.54
CYP3A4 P08684 3/20 0.54
PRKAB2 O43741 3/20 0.54
PRKAG1 P54619 3/20 0.54
PRKAA2 P54646 3/20 0.54
PRKAA1 Q13131 3/20 0.54
PRKAG3 Q9UGI9 3/20 0.54
PRKAG2 Q9UGJ0 3/20 0.54
PRKAB1 Q9Y478 3/20 0.54
IGF1R P08069 2/20 0.52
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
NAMPT P43490 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL11545449 0.89 TRPV1 (0.52) TRPV1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11541220 0.85 USP2 (0.53) TRPV1USP2CYP3A4IGF1RALDH1A1
SCHEMBL11546873 0.84 MAPT (0.59) TRPV1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11819414 0.84 MAPT (0.52) IGF1RALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL11730578 0.80 ADRB2 (0.51) IGF1RMAPTACP1
SCHEMBL11731049 0.80 TLR7 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11545275 0.80 PRKAB2 (0.59) USP2CYP3A4PRKAB2PRKAG1PRKAA2
SCHEMBL11727561 0.79 SIGMAR1 (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11730686 0.77 MAPKAPK2 (0.52) ALDH1A1TSHRMAPTABL1
SCHEMBL11545237 0.76 TRPV1 (0.52) TRPV1PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4167567-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-09-11 US disclosed