SCHEMBL8807616

SCHEMBL8807616

CCCN1CC[C@H]2c3c(cccc3NC=O)CC[C@H]21

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
HTR2B P41595 1/20 0.64

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
SCHEMBL8807619 1.00 HTR1A (0.64) HTR1AHTR2AHTR2CHTR2B
SCHEMBL8808260 0.93 HTR1A (0.56) HTR1AHTR2AHTR2CHTR2B
SCHEMBL8808266 0.93 HTR1A (0.56) HTR1AHTR2AHTR2CHTR2B
SCHEMBL8807469 0.82 HTR1A (0.47) HTR1AHTR2AHTR2CHTR2B
SCHEMBL8812201 0.82 HTR1A (0.65) HTR1AHTR2AHTR2CHTR2B
SCHEMBL8807463 0.82 HTR1A (0.47) HTR1AHTR2AHTR2CHTR2B
SCHEMBL8812206 0.82 HTR1A (0.61) HTR1AHTR2AHTR2CHTR2B
SCHEMBL8808085 0.78 HTR1A (0.73) HTR1AHTR2AHTR2CHTR2B
SCHEMBL9080563 0.78 HTR1A (1.00) HTR1AHTR2AHTR2CHTR2B
SCHEMBL8808092 0.78 HTR1A (0.73) HTR1AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586525-B1 CARBOXAMIDO-(1,2N)-CARBOCYCLIC-2-AMINOTETRALIN DERIVATIVES UPJOHN CO (US) 1997-04-16 EP claimed
US-5486611-A CENTRAL NERVOUS SYSTEM THE UPJOHN COMPANY (US) 1996-01-23 US claimed
WO-1992020655-A1 CARBOXAMIDO-(1,2N)-CARBOCYCLIC-2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1992-11-26 WO claimed
EP-0812322-A1 PYRIMIDO 4,5-b]INDOLES PHARMACIA & UPJOHN COMPANY (US) 1997-12-17 EP disclosed
EP-0586525-B1 CARBOXAMIDO-(1,2N)-CARBOCYCLIC-2-AMINOTETRALIN DERIVATIVES UPJOHN CO (US) 1997-04-16 EP disclosed
US-5486611-A CENTRAL NERVOUS SYSTEM THE UPJOHN COMPANY (US) 1996-01-23 US disclosed
WO-1992020655-A1 CARBOXAMIDO-(1,2N)-CARBOCYCLIC-2-AMINOTETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1992-11-26 WO disclosed