SCHEMBL18786189

SCHEMBL18786189

C[C@@H]1CCC[C@H](C(=O)NCSc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
AAK1 Q2M2I8 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL18786583 0.77 KMT2A (0.57) HPGDALDH1A1USP2NPC1RAB9A
SCHEMBL18787192 0.74 RECQL (0.46) HPGDALDH1A1USP2MTNR1AMTNR1B
SCHEMBL1651858 0.72 AAK1 (0.41) HPGDALDH1A1USP2MTNR1AMTNR1B
SCHEMBL17723320 0.72 BCHE (0.43) HPGDALDH1A1USP2RAB9AAAK1
SCHEMBL19789576 0.72 BCHE (0.43) HPGDALDH1A1USP2RAB9AAAK1
SCHEMBL24275599 0.72 BCHE (0.43) HPGDALDH1A1USP2RAB9AAAK1
SCHEMBL19604586 0.72 BCHE (0.43) HPGDALDH1A1USP2RAB9AAAK1
SCHEMBL13753923 0.72 BCHE (0.43) HPGDALDH1A1USP2RAB9AAAK1
SCHEMBL7047659 0.71 HTR2C (0.53) NPC1RAB9AKMT2AKDM4E
SCHEMBL20861762 0.70 ALDH1A1 (0.54) HPGDALDH1A1NPC1RAB9AKDM4E

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
WO-2017070418-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2017-04-27 WO disclosed