SCHEMBL29077464

SCHEMBL29077464

O=C(Nc1ccccc1Cl)N1CCc2ccccc2C1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.81
TAS1R1 Q7RTX1 5/20 0.81
TAS1R2 Q8TE23 5/20 0.81
RAB9A P51151 7/20 0.71
NPC1 O15118 6/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
POLB P06746 1/20 0.70
TAAR1 Q96RJ0 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 1/20 0.67
GAA P10253 1/20 0.67
KMT2A Q03164 1/20 0.67
TP53 P04637 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.62
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59

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
SCHEMBL704779 0.90 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL701923 0.88 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL702041 0.87 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL11143676 0.81 TAS1R3 (0.73) TAS1R3TAS1R1TAS1R2SMN1; SMN2POLB
SCHEMBL997815 0.80 KMT2A (0.74) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL14433857 0.80 TAS1R3 (0.76) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL5923934 0.80 TAS1R3 (1.00) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL10226339 0.79 RAB9A (1.00) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL30515325 0.79 RAB9A (1.00) TAS1R3TAS1R1TAS1R2RAB9ANPC1
SCHEMBL25402971 0.77 TAAR1 (0.70) TAS1R3TAS1R1TAS1R2RAB9ANPC1

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
CN-116783190-A N- (phenylaminocarbonyl) tetrahydroisoquinolines and related compounds as modulators of GPR65 帕蒂奥斯治疗有限公司 2023-09-19 CN disclosed