SCHEMBL19066596

SCHEMBL19066596

C=Cc1cccc(CN2CCN(Cc3cccc(C=C)c3)CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.63
SIGMAR1 Q99720 4/20 0.51
PRMT6 Q96LA8 1/20 0.47
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
DRD4 P21917 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL611760 1.00 FAAH (0.63) FAAHSIGMAR1PRMT6GAASMN1; SMN2
SCHEMBL19066585 0.93 FAAH (0.57) FAAHSIGMAR1GAAALDH1A1KMT2A
SCHEMBL610620 0.93 PRMT6 (0.57) FAAHPRMT6GAASMN1; SMN2ALDH1A1
SCHEMBL30889265 0.93 PRMT6 (0.57) FAAHPRMT6GAASMN1; SMN2ALDH1A1
SCHEMBL23916559 0.92 MC4R (0.57) FAAHSIGMAR1PRMT6NPC1RAB9A
SCHEMBL609148 0.91 SMN1; SMN2 (0.58) FAAHPRMT6GAASMN1; SMN2ALDH1A1
SCHEMBL817090 0.91 SMN1; SMN2 (0.58) FAAHPRMT6GAASMN1; SMN2ALDH1A1
SCHEMBL19066609 0.89 SIGMAR1 (0.57) FAAHSIGMAR1PRMT6ALDH1A1KMT2A
SCHEMBL5673597 0.89 NCF1 (0.60) FAAHSMN1; SMN2ALDH1A1KMT2ANPC1
Hydrochloric Acid SCHEMBL9051088 0.87 SIGMAR1 (0.56) FAAHSIGMAR1KMT2ATDP1MEN1

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
WO-2017116272-A1 METHOD FOR PREPARING TERTIARY AMINES COMPRISING ETHYNYLBENZYL SUBSTITUENTS PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) 2017-07-06 WO disclosed