SCHEMBL7273633

SCHEMBL7273633

CC(=O)NCC1Cc2ccc(C(C)=O)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.50
MTNR1B P49286 9/20 0.50
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TBXA2R P21731 2/20 0.44
HSD17B1 P14061 1/20 0.42
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.40
NAMPT P43490 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
SCHEMBL8881567 0.90 MTNR1A (0.47) MTNR1AMTNR1BTBXA2R
SCHEMBL8296298 0.82 MTNR1A (0.44) MTNR1AMTNR1BTBXA2R
SCHEMBL7281450 0.80 MTNR1A (0.68) MTNR1AMTNR1B
SCHEMBL8730184 0.78 MAPT (0.50) MAPTNPC1RAB9ATBXA2RHSD17B1
SCHEMBL7276035 0.77 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL6641688 0.77 NPC1 (0.49) MAPTNPC1RAB9ATBXA2RHSD17B1
SCHEMBL10405252 0.76 CA1 (0.61) MTNR1AMTNR1BMAPTNPC1RAB9A
SCHEMBL10978186 0.76 MAPT (0.47) MAPTNPC1RAB9ATBXA2RHSD17B1
SCHEMBL8733286 0.75 TBXA2R (0.79) TBXA2R
SCHEMBL17513830 0.75 MAPT (0.58) MAPTNPC1RAB9AHSD17B1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed