SCHEMBL9344645

SCHEMBL9344645

CC(=O)OC1c2ccccc2CCC1CCCC(=O)N1CCSCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.37
PREP P48147 5/20 0.36
DPP4 P27487 1/20 0.36
CHRM4 P08173 2/20 0.35
KDM1A O60341 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 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
SCHEMBL9343725 0.90 NPC1 (0.43) MTNR1BPREPCHRM4HPGDSMN1; SMN2
SCHEMBL9348370 0.88 FKBP1A (0.43) KDM1APOLBHPGDTSHRSMN1; SMN2
SCHEMBL9343742 0.76 MTNR1B (0.36) MTNR1BPREPCHRM4NPC1RAB9A
SCHEMBL9344141 0.70 HTR2C (0.49) PREPHPGDSMN1; SMN2
SCHEMBL8923231 0.68 POLB (0.51) MTNR1BCHRM4DRD2HTR7POLB
SCHEMBL9345600 0.65 PREP (0.36) MTNR1BPREP
SCHEMBL9557081 0.65 NPC1 (0.60) DPP4HTR7POLBTSHRSMN1; SMN2
SCHEMBL4412361 0.65 CHRM2 (0.44) PREPCHRM4SMN1; SMN2NPC1RAB9A
SCHEMBL9557071 0.64 NPC1 (0.58) NPC1RAB9A
SCHEMBL22089300 0.64 HRH3 (0.46) CHRM4CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292768-A Compound effective as cerebral insufficiency improver SUNTORY LIMITED (JP) 1994-03-08 US disclosed
US-5288752-A Brain disorders SUNTORY LIMITED (JP) 1994-02-22 US disclosed
EP-0322248-B1 COMPOUNDS EFFECTIVE AGAINST CEREBRAL INSUFFICIENCY SUNTORY LIMITED (JP) 1993-08-04 EP disclosed
US-5179092-A Cognition activators SUNTORY LIMITED (JP) 1993-01-12 US disclosed
US-5057514-A Compounds effective as cerebral schemia treating agents SUNTORY LIMITED (JP) 1991-10-15 US disclosed
EP-0322248-A2 Compounds effective against cerebral insufficiency SUNTORY LIMITED (JP) 1989-06-28 EP disclosed