SCHEMBL14864786

SCHEMBL14864786

Cc1cnc(Cc2ccccc2C)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
MTNR1A P48039 1/20 0.43
TYMP P19971 1/20 0.40
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
AR P10275 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
USP2 O75604 1/20 0.37
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ELANE P08246 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL13183610 0.80 MTNR1A (0.39) MTNR1ATAAR1CNR2GPR55ELANE
SCHEMBL15114873 0.77 RAB9A (0.47) MTNR1ATAAR1ALDH1A1HPGDGPR55
SCHEMBL20773262 0.73 EGFR (0.40) EGFRTYMPTAAR1ARADRA2A
SCHEMBL2090458 0.72 TAAR1 (0.56) TYMPTAAR1ARP2RX7ALDH1A1
SCHEMBL29477327 0.72 TAAR1 (0.56) TYMPTAAR1ARP2RX7ALDH1A1
SCHEMBL16061555 0.70 POLB (0.54) HTR2CHTR2BTAAR1ALDH1A1HPGD
SCHEMBL11200954 0.70 TAAR1 (0.54) TYMPTAAR1ARP2RX7ALDH1A1
SCHEMBL29772212 0.70 TAAR1 (0.54) TYMPTAAR1ARP2RX7ALDH1A1
SCHEMBL16900005 0.69 HTR2C (0.50) HTR2CHTR2BTAAR1ARUSP2
SCHEMBL21163713 0.68 PDK2 (0.40) HPGDNPC1RAB9A

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-8420686-B2 Linked diimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed