SCHEMBL11375005

SCHEMBL11375005

COc1cccc(C(c2ccccc2)N2CCC(/N=C/c3ccccc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 4/20 0.49
▸ OPRM1 P35372 3/20 0.49
▸ OPRK1 P41145 2/20 0.49
▸ OPRL1 P41146 2/20 0.49
▸ MAPT P10636 4/20 0.45
▸ BACE1 P56817 5/20 0.43
▸ ACHE P22303 3/20 0.43
▸ BCHE P06276 2/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CACNA2D1 P54289 1/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ CACNB1 Q02641 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11375006 1.00 OPRD1 (0.49) OPRD1OPRM1OPRK1OPRL1MAPT
SCHEMBL11371156 0.95 BACE1 (0.46) OPRD1OPRM1OPRK1OPRL1MAPT
SCHEMBL11371141 0.95 BACE1 (0.46) OPRD1OPRM1OPRK1OPRL1MAPT
SCHEMBL11368406 0.91 OPRD1 (0.42) OPRD1OPRM1OPRK1OPRL1MAPT
SCHEMBL11368410 0.91 OPRD1 (0.42) OPRD1OPRM1OPRK1OPRL1MAPT
SCHEMBL11370030 0.89 MAPT (0.43) OPRD1OPRM1OPRK1OPRL1MAPT
SCHEMBL11370033 0.89 MAPT (0.43) OPRD1OPRM1OPRK1OPRL1MAPT
SCHEMBL11380661 0.87 MAPT (0.57) OPRD1OPRM1OPRK1OPRL1MAPT
SCHEMBL11380640 0.87 MAPT (0.57) OPRD1OPRM1OPRK1OPRL1MAPT
SCHEMBL11373895 0.85 BACE1 (0.56) OPRD1OPRM1OPRK1OPRL1MAPT

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-4267318-A 1-(Diarylmethyl)-4-piperidinamine and derivatives thereof G. D. SEARLE & CO. (US) 1981-05-12 — — US disclosed
Send feedback