SCHEMBL31365136

SCHEMBL31365136

C[C@H](N)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.48
PDE2A O00408 2/20 0.43
ADRB2 P07550 1/20 0.38
P2RX3 P56373 2/20 0.37
P2RX7 Q99572 2/20 0.36
PIK3CA P42336 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
KCNH2 Q12809 2/20 0.36
GPR139 Q6DWJ6 1/20 0.36
MAP4K4 O95819 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
TRPV3 Q8NET8 3/20 0.36
CYP2C9 P11712 2/20 0.36
NR1I2 O75469 1/20 0.36
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35

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
SCHEMBL998305 1.00 TRPV4 (0.48) TRPV4PDE2AADRB2P2RX3P2RX7
SCHEMBL367869 1.00 TRPV4 (0.48) TRPV4PDE2AADRB2P2RX3P2RX7
SCHEMBL347477 1.00 TRPV4 (0.48) TRPV4PDE2AADRB2P2RX3P2RX7
Hydrochloric Acid SCHEMBL4525613 0.98 TRPV4 (0.47) TRPV4PDE2AADRB2P2RX3P2RX7
Hydrochloric Acid SCHEMBL29220549 0.98 TRPV4 (0.47) TRPV4PDE2AADRB2P2RX3P2RX7
Hydrochloric Acid SCHEMBL28929954 0.98 TRPV4 (0.47) TRPV4PDE2AADRB2P2RX3P2RX7
Hydrochloric Acid SCHEMBL14480234 0.98 TRPV4 (0.47) TRPV4PDE2AADRB2P2RX3P2RX7
Hydrochloric Acid SCHEMBL28673757 0.98 TRPV4 (0.47) TRPV4PDE2AADRB2P2RX3P2RX7
Hydrochloric Acid SCHEMBL1000893 0.98 TRPV4 (0.47) TRPV4PDE2AADRB2P2RX3P2RX7
Hydrochloric Acid SCHEMBL29220551 0.98 TRPV4 (0.47) TRPV4PDE2AADRB2P2RX3P2RX7

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-113226462-B Heteroaromatic compounds as VANIN inhibitors 勃林格殷格翰国际公司 2025-02-11 CN disclosed