SCHEMBL8936556

SCHEMBL8936556

Cc1cc(F)ccc1-c1c(NC(=O)NCc2ccccc2Cl)n(C)c(=O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.53
THRB P10828 1/20 0.43
P2RX7 Q99572 4/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 1/20 0.41
RAB9A P51151 1/20 0.41
BRD4 O60885 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL8936431 0.89 TACR1 (0.56) TACR1THRBNPC1MEN1KMT2A
SCHEMBL8936447 0.84 TACR1 (0.53) TACR1THRBNPC1MEN1KMT2A
SCHEMBL8936446 0.84 TACR1 (0.49) TACR1NPC1MEN1KMT2ALMNA
SCHEMBL8936575 0.83 TACR1 (0.60) TACR1NPC1MEN1KMT2ARAB9A
SCHEMBL8936514 0.80 TACR1 (0.59) TACR1NPC1MEN1KMT2ARAB9A
SCHEMBL8936460 0.78 TACR1 (0.76) TACR1NPC1MEN1KMT2ARAB9A
SCHEMBL8936565 0.78 TACR1 (0.61) TACR1THRBNPC1MEN1KMT2A
SCHEMBL8936432 0.74 TACR1 (0.74) TACR1
SCHEMBL8786193 0.73 TACR1 (0.74) TACR1THRBNPC1MEN1KMT2A
SCHEMBL8936601 0.72 TACR1 (0.70) TACR1NPC1MEN1KMT2ALMNA

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-5523305-A ANALGESICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-04 US disclosed