SCHEMBL11207346

SCHEMBL11207346

CC(=O)NC1CCNCC1.NC1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.55
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.44
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
SMYD3 Q9H7B4 9/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 1/20 0.40
HTR4 Q13639 1/20 0.37
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
TSHR P16473 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL7012 0.90 EPHX1 (0.67) EPHX1POLBATMGNAI3GNAO1
Hydrochloric Acid SCHEMBL27873710 0.88 EPHX1 (0.64) EPHX1POLBATMGNAI3GNAO1
Hydrochloric Acid SCHEMBL1523932 0.88 EPHX1 (0.64) EPHX1POLBATMGNAI3GNAO1
Acetic Acid SCHEMBL5092074 0.86 EPHX1 (0.61) EPHX1POLBATMGNAI3GNAO1
SCHEMBL12789535 0.82 EPHX1 (0.60) EPHX1POLBATMGNAI3GNAO1
SCHEMBL1700035 0.81 SMYD3 (0.49) ATMSMYD3KDM4EALDH1A1
SCHEMBL750490 0.81 SMYD3 (0.49) ATMSMYD3KDM4EALDH1A1
SCHEMBL10182015 0.81 SMYD3 (0.49) ATMSMYD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL571824 0.79 SMYD3 (0.47) ATMSMYD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29624912 0.79 SMYD3 (0.47) ATMSMYD3KDM4EALDH1A1

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-0045980-B1 COMPOUNDS USEFUL IN THE PREPARATION OF AMINOPIPERIDINES WITH ANORECTIC PROPERTIES SANOFI S.A. (FR) 1983-10-05 EP claimed
EP-0021973-B1 ANORECTIC AMINO PIPERIDINES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM SANOFI S.A. (FR) 1982-12-08 EP claimed