SCHEMBL6631359

SCHEMBL6631359

COc1cc2c(cc1I)CC(C)N(C(=O)CC(F)(F)F)CC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MTNR1B P49286 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL1095357 0.75 HTR2A (0.46) KMT2AKDM4EALDH1A1SMN1; SMN2MTNR1B
SCHEMBL1903428 0.71 DRD2 (0.41)
SCHEMBL25722288 0.70 SMN1; SMN2 (0.58) KMT2AKDM4EALDH1A1SMN1; SMN2MTNR1B
SCHEMBL6631121 0.70 ESR1 (0.41) ALDH1A1MTNR1B
SCHEMBL2061237 0.66 MTNR1B (0.45) KMT2AKDM4EALDH1A1SMN1; SMN2MTNR1B
SCHEMBL28812267 0.65 MAOB (0.77) SMN1; SMN2
SCHEMBL28812341 0.65 MAOB (0.77) SMN1; SMN2
SCHEMBL29843351 0.65 MAOB (0.77) SMN1; SMN2
SCHEMBL1096983 0.65 HTR2C (0.46) KMT2AKDM4EALDH1A1SMN1; SMN2MTNR1B
SCHEMBL1094266 0.65 HTR2A (0.48) KMT2AKDM4EALDH1A1SMN1; SMN2MTNR1B

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-1411881-A4 5HT sb 2C /sb RECEPTOR MODULATORS ARENA PHARM INC (US) 2004-07-07 EP disclosed
EP-1411881-A2 5HT sb 2C /sb RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2004-04-28 EP disclosed
WO-2003086306-A2 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2003-10-23 WO disclosed