SCHEMBL7258685

SCHEMBL7258685

NNc1cccc2c1CC(C(N)=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.39
MTNR1B P49286 4/20 0.39
EPHX2 P34913 1/20 0.39
TRPV1 Q8NER1 8/20 0.38
SIRT1 Q96EB6 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL7257949 0.90 HTR6 (0.41) MTNR1AMTNR1BEPHX2SIRT1
SCHEMBL7258365 0.82 ALDH1A1 (0.42) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL7262280 0.80 SLC18A3 (0.39) MTNR1AMTNR1BEPHX2SIRT1
SCHEMBL7257934 0.76 CA1 (0.41) TRPV1
SCHEMBL18231450 0.76 MTNR1A (0.61) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL30711622 0.75 PLAU (0.52) MTNR1AMTNR1B
SCHEMBL346421 0.75 PLAU (0.52) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL1902058 0.74 ANPEP (0.51) MTNR1AMTNR1B
SCHEMBL8029939 0.72 MTNR1A (0.43) MTNR1AMTNR1BEPHX2CYP1A2MAPT
SCHEMBL7263515 0.72 DRD2 (0.41) SIRT1

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
EP-0614898-B1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-05-07 EP disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 US disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 EP disclosed