SCHEMBL7102201

SCHEMBL7102201

COc1ccc2cccc(C3CC3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.64
MTNR1B P49286 6/20 0.54
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
HTR2A P28223 2/20 0.47
DPP4 P27487 6/20 0.44

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
SCHEMBL9675325 0.90 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL9325324 0.88 MTNR1A (0.56) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9327308 0.88 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL5517312 0.87 MTNR1A (0.50) MTNR1AMTNR1BCYP1A2CYP2A6HTR2A
SCHEMBL9325706 0.80 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL9676867 0.80 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL7236200 0.80 MTNR1A (0.61) MTNR1AMTNR1BCYP1A2CYP2A6HTR2A
SCHEMBL7012397 0.80 MTNR1A (0.61) MTNR1AMTNR1BCYP1A2CYP2A6HTR2A
SCHEMBL1792288 0.78 MTNR1A (0.49) MTNR1AMTNR1BCYP1A2CYP2A6HTR2A
SCHEMBL31040507 0.78 MTNR1A (0.49) MTNR1AMTNR1BCYP1A2CYP2A6HTR2A

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-0994102-B1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-03-19 EP disclosed
EP-0994102-A1 Cyclic derivatives with a cycloalkylenic chain, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-04-19 EP disclosed