SCHEMBL11228892

SCHEMBL11228892

Nc1c(Oc2ccccc2)cc(Cc2ccccc2)c(Cc2ccccc2)c1N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.39
▸ RIPK1 Q13546 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ BCL2 P10415 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ MAOB P27338 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
SCHEMBL10609926 0.82 RIPK1 (0.41) HRH1RIPK1DPP4TTRBCL2
SCHEMBL9419588 0.75 TTR (0.42) HRH1RIPK1DPP4TTRBCL2
SCHEMBL10628572 0.73 HRH1 (0.37) HRH1RIPK1CYP1A2CYP3A4CYP2C9
SCHEMBL9816698 0.72 DPP4 (0.50) HRH1RIPK1DPP4TTRHTR2A
SCHEMBL28180000 0.72 HRH1 (0.58) HRH1RIPK1CYP1A2CYP3A4CYP2C9
Phosphine SCHEMBL28179254 0.71 HRH1 (0.56) HRH1RIPK1CYP1A2CYP3A4CYP2C9
SCHEMBL3970500 0.70 BCL2 (0.41) CYP3A4CYP2C19BCL2BCL2L1HTR2A
SCHEMBL31539219 0.70 MAOA (0.48) HRH1CYP3A4SMN1; SMN2HTR2ASLC6A4
SCHEMBL9458270 0.69 BCL2 (0.37) CYP3A4BCL2BCL2L1HTR2A
SCHEMBL679994 0.69 CYP1A2 (0.52) HRH1CYP1A2CYP3A4CYP2C9CYP2C19

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-4309294-A OIL ADDITIVES UOP INC. (US) 1982-01-05 — — US disclosed
Send feedback