SCHEMBL11822500

SCHEMBL11822500

CCc1ccc2c(c1)N1CCCNCC1C2

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.59
HTR2B P41595 11/20 0.59
HTR2A P28223 6/20 0.59
HTR6 P50406 9/20 0.50

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
SCHEMBL11819330 0.90 HTR2C (0.67) HTR2CHTR2BHTR2AHTR6
SCHEMBL11824656 0.90 HTR2C (0.59) HTR2CHTR2BHTR2AHTR6
SCHEMBL11825106 0.82 HTR2C (0.63) HTR2CHTR2BHTR2AHTR6
SCHEMBL11824990 0.81 HTR2C (0.59) HTR2CHTR2BHTR2AHTR6
SCHEMBL11820144 0.80 HTR2C (0.84) HTR2CHTR2BHTR2AHTR6
SCHEMBL11821827 0.80 HTR2C (0.64) HTR2CHTR2BHTR2AHTR6
SCHEMBL11826357 0.80 HTR2C (0.67) HTR2CHTR2BHTR2AHTR6
SCHEMBL11824911 0.79 HTR2C (0.57) HTR2CHTR2BHTR2AHTR6
SCHEMBL11822826 0.79 HTR2C (0.77) HTR2CHTR2BHTR2AHTR6
SCHEMBL11818388 0.79 HTR2C (0.54) HTR2CHTR2BHTR2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3980797-A Hexahydro-diazepino-indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-09-14 US disclosed