SCHEMBL7735978

SCHEMBL7735978

C[C@@H]1CC2c3cccc4c3N(CCNC4)C2C1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.67
HTR2B P41595 7/20 0.63
HTR2A P28223 4/20 0.52

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
SCHEMBL4347966 1.00 HTR2C (0.67) HTR2CHTR2BHTR2A
SCHEMBL4348100 1.00 HTR2C (0.67) HTR2CHTR2BHTR2A
SCHEMBL20698201 0.90 HTR2C (0.72) HTR2CHTR2BHTR2A
SCHEMBL7229772 0.81 HTR2C (0.94) HTR2CHTR2BHTR2A
SCHEMBL4344616 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL16168362 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL4354419 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL20698202 0.81 HTR2C (0.94) HTR2CHTR2BHTR2A
SCHEMBL29434863 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL4352287 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A

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
US-6777407-B2 7BH-CYCLOPENTA(B)(1,4)DIAZEPINO(6, 7, 1-HI)INDOLE OR A SALT, USEFUL FOR TREATMENT OF SCHIZOPHRENIA, OBSESSIVE COMPULSIVE DISORDER, DEPRESSION, ANXIETY, PANIC DISORDER, OBESITY OR EPILEPSY WYETH 2004-08-17 US disclosed
US-6777407-B2 7BH-CYCLOPENTA(B)(1,4)DIAZEPINO(6, 7, 1-HI)INDOLE OR A SALT, USEFUL FOR TREATMENT OF SCHIZOPHRENIA, OBSESSIVE COMPULSIVE DISORDER, DEPRESSION, ANXIETY, PANIC DISORDER, OBESITY OR EPILEPSY WYETH 2004-08-17 US disclosed