SCHEMBL20385693

SCHEMBL20385693

CC1=NC(c2cccc3ccccc23)CO1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.46
SLC6A4 P31645 4/20 0.45
KDM1A O60341 1/20 0.45
CYP2D6 P10635 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 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
SCHEMBL20385796 1.00 TAAR1 (0.46) TAAR1SLC6A4KDM1ACYP2D6NPC1
SCHEMBL11191703 0.81 KDM1A (0.45) TAAR1SLC6A4KDM1ANPC1MAPT
SCHEMBL3610206 0.81 TAAR1 (0.62) TAAR1CYP2D6
SCHEMBL3610201 0.81 TAAR1 (0.62) TAAR1CYP2D6
SCHEMBL23771879 0.80 SLC6A4 (0.46) TAAR1SLC6A4KDM1ANPC1MAPT
SCHEMBL20289407 0.80 NPC1 (0.45) TAAR1SLC6A4KDM1ACYP2D6NPC1
SCHEMBL20286123 0.80 SLC6A4 (0.42) TAAR1SLC6A4KDM1ACYP2D6NPC1
SCHEMBL20289042 0.80 NPC1 (0.45) TAAR1SLC6A4KDM1ACYP2D6NPC1
SCHEMBL20286137 0.80 SLC6A4 (0.42) TAAR1SLC6A4KDM1ACYP2D6NPC1
SCHEMBL29999888 0.80 SLC6A4 (0.42) TAAR1SLC6A4KDM1ACYP2D6NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555100-B1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO INC (US) 2023-05-10 EP disclosed
WO-2018130868-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2018-07-19 WO disclosed
WO-2018130869-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2018-07-19 WO disclosed