SCHEMBL15566331

SCHEMBL15566331

O=C(O)N1CCC(Nc2ccc(F)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.53
PAK1 Q13153 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
JAK1 P23458 1/20 0.46
HTT P42858 1/20 0.46
TP53 P04637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
EEF2K O00418 1/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL4405257 0.87 OPRM1 (0.42) OPRM1PAK1L3MBTL1POLBGAA
SCHEMBL2637133 0.85 OPRM1 (0.50) OPRM1PAK1L3MBTL1POLBNPC1
SCHEMBL2637135 0.84 OPRM1 (0.49) OPRM1PAK1L3MBTL1POLBNPC1
SCHEMBL25232523 0.83 KMT2A (0.47) OPRM1PAK1POLBGAAKMT2A
SCHEMBL3851155 0.82 KDM4E (0.59) L3MBTL1POLBNPC1RAB9AGAA
SCHEMBL15565385 0.81 ALDH1A1 (0.56) OPRM1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL18115905 0.80 BTK (0.39) OPRM1PAK1L3MBTL1GAALMNA
SCHEMBL6928194 0.79 ACKR3 (0.49) OPRM1PAK1L3MBTL1POLBNPC1
SCHEMBL16422849 0.79 KMT2A (0.51) NPC1GAAKMT2AALDH1A1MAPT
SCHEMBL18115998 0.79 THRB (0.46) POLBNPC1RAB9ASMN1; SMN2KMT2A

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
EP-2882722-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS Envoy Therapeutics Inc. (US) 2015-06-17 EP disclosed
WO-2014028479-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. (US) 2014-02-20 WO disclosed