SCHEMBL17119222

SCHEMBL17119222

CC[C@@]1(c2cccc(OC)c2)CCCCNC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
PGGT1B P53609 1/20 0.49
SLC6A4 P31645 14/20 0.48
SLC6A2 P23975 11/20 0.48
SLC6A3 Q01959 4/20 0.48
CYP2D6 P10635 2/20 0.48
ALDH1A1 P00352 1/20 0.43
OPRM1 P35372 4/20 0.41
SLC22A1 O15245 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TACR1 P25103 2/20 0.41

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
SCHEMBL7680548 1.00 FNTA (0.49) FNTAFNTBPGGT1BSLC6A4SLC6A2
SCHEMBL13078444 0.88 FNTA (0.49) FNTAFNTBPGGT1BSLC6A4SLC6A2
SCHEMBL20698854 0.82 SLC6A4 (0.44) FNTAFNTBPGGT1BSLC6A4SLC6A2
SCHEMBL7674020 0.81 SLC6A4 (0.59) FNTAFNTBPGGT1BSLC6A4SLC6A2
SCHEMBL11947490 0.81 SLC6A4 (0.59) FNTAFNTBPGGT1BSLC6A4SLC6A2
SCHEMBL19123555 0.80 SLC6A4 (0.50) FNTAFNTBPGGT1BSLC6A4SLC6A2
SCHEMBL12204727 0.79 ALOX5 (0.41) SLC6A4SLC6A2SLC6A3CYP2D6ALDH1A1
SCHEMBL7896140 0.76 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3ALDH1A1OPRM1
SCHEMBL19145747 0.76 ACHE (0.54) SLC6A4SLC6A2SLC6A3CYP2D6OPRM1
SCHEMBL11585932 0.75 ACHE (0.69) SLC6A4SLC6A2SLC6A3CYP2D6OPRM1

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
EP-2048134-B1 MEPTAZINOL BILIGAND DERIVATIVES AND/OR THEIR SALTS, PREPARATION METHOD AND USES THEREOF UNIV FUDAN (CN) 2015-09-23 EP disclosed