SCHEMBL9689897

SCHEMBL9689897

CC(=O)NCCc1ccc(NC(C)=O)c2[nH]ncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.41
CYP1A2 P05177 2/20 0.41
BLM P54132 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1B P49286 11/20 0.40
NOTUM Q6P988 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
IDO1 P14902 1/20 0.39
HPGD P15428 1/20 0.39
SPR P35270 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL9689988 0.84 ROCK2 (0.42) METAP2
SCHEMBL26451513 0.70 MTNR1A (0.67) MTNR1ACYP1A2BLMMEN1LMNA
SCHEMBL5094991 0.68 MTNR1A (0.59) MTNR1ACYP1A2BLMMEN1LMNA
SCHEMBL5107971 0.67 MTNR1A (0.56) MTNR1ABLMLMNAMTNR1BKDM4E
SCHEMBL21894632 0.63 GAA (0.64) CYP1A2LMNACYP2C19ALDH1A1CYP3A4
SCHEMBL24015860 0.62 FPR3 (0.47) MTNR1AMTNR1BKDM4EQPCTQPCTL
SCHEMBL8526051 0.62 MEN1 (0.55) MTNR1ACYP1A2BLMMEN1LMNA
SCHEMBL29941181 0.61 MTNR1A (0.73) MTNR1AMTNR1B
SCHEMBL761446 0.61 MTNR1A (0.73) MTNR1AMTNR1B
SCHEMBL22864257 0.61 NOS1 (0.34) IDO1

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
EP-0189473-B1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed