SCHEMBL13199159

SCHEMBL13199159

CC(C)N(Cc1ccc2c(c1)OCCO2)C(=O)c1cnc(N2CCC3CCCCC3C2)nc1-c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.37
▸ SSTR3 P32745 12/20 0.36
▸ SSTR1 P30872 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8267641 0.96 SSTR3 (0.39) TACR1SSTR3SSTR1ALDH1A1LMNA
SCHEMBL8267733 0.93 MCHR1 (0.38) TACR1SSTR3POLBNPC1HSD17B10
SCHEMBL13199216 0.89 TACR1 (0.42) TACR1ALDH1A1LMNAPOLBMEN1
SCHEMBL11923227 0.89 HSD17B10 (0.43) TACR1MEN1KMT2AHSD17B10
SCHEMBL11923264 0.87 MAPT (0.35) TACR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL11923256 0.87 JAK1 (0.38) TACR1HSD17B10
SCHEMBL11923272 0.85 WDR5 (0.39) TACR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL11923231 0.84 TACR1 (0.42) TACR1ALDH1A1LMNAKMT2ANPSR1
SCHEMBL8266441 0.79 HSD17B10 (0.45) TACR1MEN1KMT2AHSD17B10
SCHEMBL8267651 0.79 CHRM2 (0.37) TACR1

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
US-7767680-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 — — US disclosed
US-7767680-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 — — US disclosed
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