SCHEMBL1289442

SCHEMBL1289442

COc1ccc2c(c1)C(=CCNC(C)=O)CCC2

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.67
MTNR1B P49286 11/20 0.67
NQO2 P16083 5/20 0.67
ABCB1 P08183 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2C P28335 1/20 0.42

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
SCHEMBL1289440 1.00 MTNR1A (0.67) MTNR1AMTNR1BNQO2ABCB1MAPT
SCHEMBL1289438 1.00 MTNR1A (0.67) MTNR1AMTNR1BNQO2ABCB1MAPT
SCHEMBL4689417 0.93 MTNR1A (0.78) MTNR1AMTNR1BNQO2NPC1RAB9A
SCHEMBL4689415 0.93 MTNR1A (0.78) MTNR1AMTNR1BNQO2NPC1RAB9A
SCHEMBL4689419 0.93 MTNR1A (0.78) MTNR1AMTNR1BNQO2NPC1RAB9A
SCHEMBL7956587 0.86 MTNR1A (0.65) MTNR1AMTNR1BNQO2ABCB1MAPT
SCHEMBL7956592 0.86 MTNR1A (0.65) MTNR1AMTNR1BNQO2ABCB1MAPT
SCHEMBL7952088 0.86 MTNR1A (0.62) MTNR1AMTNR1BNQO2ABCB1MAPT
SCHEMBL7951430 0.86 MTNR1B (0.62) MTNR1AMTNR1BNQO2ABCB1MAPT
SCHEMBL7956590 0.86 MTNR1A (0.65) MTNR1AMTNR1BNQO2ABCB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012046253-A2 PROCESS FOR THE PREPARATION OF N-[2- (7-METHOXY-L-NAPHTHYL) ETHYL] ACETAMIDE AND ITS NOVEL CRYSTALLINE FORMS MSN LABORATORIES LIMITED (IN) 2012-04-12 WO disclosed
US-6235789-B1 GLANDULAR DISORDERS; SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0781271-B1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-06-07 EP disclosed
EP-0781271-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-02 EP disclosed
WO-1996008466-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-21 WO disclosed