SCHEMBL23913128

SCHEMBL23913128

Cc1ccc2c(c1)N1CCNCC1CO2

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.49
HTR2B P41595 14/20 0.49
HTR2A P28223 9/20 0.49
HTR6 P50406 2/20 0.46

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
SCHEMBL25814384 0.89 HTR2C (0.49) HTR2CHTR2BHTR2AHTR6
SCHEMBL24584801 0.89 HTR2C (0.49) HTR2CHTR2BHTR2AHTR6
SCHEMBL2021572 0.86 HTR2C (0.47) HTR2CHTR2BHTR2AHTR6
SCHEMBL692581 0.86 HTR2C (0.47) HTR2CHTR2BHTR2AHTR6
SCHEMBL2019564 0.86 HTR2C (0.47) HTR2CHTR2BHTR2AHTR6
SCHEMBL7169627 0.83 HTR2C (0.58) HTR2CHTR2BHTR2AHTR6
SCHEMBL13595228 0.82 HTR2C (0.64) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL4408050 0.81 HTR2C (0.62) HTR2CHTR2BHTR2A
SCHEMBL13595240 0.80 HTR2C (0.65) HTR2CHTR2BHTR2A
SCHEMBL5532469 0.80 HTR2C (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386981-B1 HETEROCYCLES USEFUL AS ANTI-CANCER AGENTS HANGZHOU INNOGATE PHARMA CO LTD (CN) 2021-10-13 EP disclosed