SCHEMBL31083706

SCHEMBL31083706

O=C(Nc1c[nH]c2cc(F)c(Cl)cc12)N1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.58
NPC1 O15118 7/20 0.58
TAS1R3 Q7RTX0 7/20 0.57
TAS1R1 Q7RTX1 7/20 0.57
TAS1R2 Q8TE23 7/20 0.57
TAAR1 Q96RJ0 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL25406678 1.00 RAB9A (0.58) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL30593284 0.92 RAB9A (0.63) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL25405249 0.92 RAB9A (0.63) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL31083743 0.90 RAB9A (0.47) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL25404736 0.90 RAB9A (0.47) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL25404536 0.85 RAB9A (0.60) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL30593283 0.85 RAB9A (0.60) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL30564223 0.85 RAB9A (0.41) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL25405686 0.84 RAB9A (0.59) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL30593247 0.84 RAB9A (0.59) RAB9ANPC1TAS1R3TAS1R1TAS1R2

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-118742543-A Dihydro isoquinoline compound and medical application thereof 中国科学院上海药物研究所 2024-10-01 CN disclosed