SCHEMBL10476232

SCHEMBL10476232

C[C@H](NC(=O)c1ccc(CSc2c(Cl)ccc3c2CCNCC3)cc1F)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGER4 P35408 4/20 0.39
PTGER2 P43116 1/20 0.37
CNR2 P34972 4/20 0.36
CNR1 P21554 3/20 0.36
ACACB O00763 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
KCNK3 O14649 3/20 0.35
PDE10A Q9Y233 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL10476227 1.00 ALDH1A1 (0.40) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL10476228 1.00 ALDH1A1 (0.40) ALDH1A1LMNAHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL507623 0.99 ALDH1A1 (0.40) ALDH1A1LMNAHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL507360 0.99 ALDH1A1 (0.40) ALDH1A1LMNAHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL507359 0.99 ALDH1A1 (0.40) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL10476270 0.89 LMNA (0.52) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL10476215 0.89 LMNA (0.52) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL10476213 0.89 LMNA (0.52) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL10277975 0.87 KDM4E (0.37) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL10476202 0.87 KDM4E (0.37) ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US claimed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP claimed