SCHEMBL9686205

SCHEMBL9686205

CNC1(c2ccccc2)CC[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.52
SLC6A4 P31645 6/20 0.52
SLC6A3 Q01959 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
CYP3A4 P08684 5/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2D6 P10635 3/20 0.52
NPC1 O15118 2/20 0.52
MTOR P42345 2/20 0.52
RAB9A P51151 2/20 0.52
MLNR O43193 1/20 0.52
NR1I2 O75469 1/20 0.52
ABCB11 O95342 1/20 0.52
ESR1 P03372 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
ABCB1 P08183 1/20 0.52
ADRB1 P08588 1/20 0.52

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
SCHEMBL8814001 0.81 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL4288613 0.76 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2235604 0.76 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8254519 0.76 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9843161 0.76 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL5348264 0.75 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL17199773 0.74 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3363271 0.73 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Mandelic Acid SCHEMBL3893473 0.73 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL11128945 0.73 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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-5082970-A Process for recycling amine isomer PFIZER INC. (US) 1992-01-21 US disclosed