SCHEMBL11545237

SCHEMBL11545237

CCc1ccc(NC(=O)N2CCN(C(=O)c3ccc(Nc4cc(Cl)nc5ccccc45)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.52
POLB P06746 1/20 0.52
P2RY12 Q9H244 1/20 0.50
MAPT P10636 1/20 0.50
FAAH O00519 1/20 0.50
PRKAB2 O43741 2/20 0.49
PRKAG1 P54619 2/20 0.49
PRKAA2 P54646 2/20 0.49
PRKAA1 Q13131 2/20 0.49
PRKAG3 Q9UGI9 2/20 0.49
PRKAG2 Q9UGJ0 2/20 0.49
PRKAB1 Q9Y478 2/20 0.49
IGF1R P08069 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL11544280 0.85 TRPV1 (0.60) TRPV1POLBMAPTFAAHIGF1R
SCHEMBL11545236 0.80 MAPKAPK2 (0.56) MAPTKMT2AMAPK1
SCHEMBL11542583 0.76 MAPT (0.42) MAPTIGF1RNPC1KMT2A
SCHEMBL11545449 0.76 TRPV1 (0.52) TRPV1MAPTFAAHPRKAB2PRKAG1
SCHEMBL11542120 0.76 PRKAB2 (0.54) TRPV1MAPTPRKAB2PRKAG1PRKAA2
SCHEMBL11545277 0.76 TRPV1 (0.58) TRPV1MAPTPRKAB2PRKAG1PRKAA2
SCHEMBL11546873 0.76 MAPT (0.59) TRPV1MAPTFAAHPRKAB2PRKAG1
SCHEMBL11542846 0.76 MEN1 (0.48) MAPTNPC1KMT2A
SCHEMBL11730686 0.74 MAPKAPK2 (0.52) POLBMAPTNPC1KMT2A
SCHEMBL29263367 0.73 POLB (0.58) POLBMAPTNPC1RAB9AKMT2A

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