SCHEMBL10707953

SCHEMBL10707953

CCC1CNc2c(ccc(Cl)c2C)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 6/20 0.37
▸ HTR2C P28335 6/20 0.37
▸ HTR2B P41595 6/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CES1 P23141 1/20 0.32

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
SCHEMBL28994087 0.79 HTR2C (0.42) HTR2AHTR2CHTR2BKCNH2CES1
SCHEMBL7422449 0.68 F2 (0.34) —
SCHEMBL7422444 0.68 F2 (0.34) —
SCHEMBL10838799 0.66 AR (0.34) HTR2AHTR2CHTR2BKCNH2CES1
SCHEMBL7422361 0.65 MTNR1A (0.59) HTR2B
SCHEMBL7422364 0.65 MTNR1A (0.59) HTR2B
SCHEMBL9510659 0.65 PNMT (0.42) HTR2AHTR2CHTR2BKCNH2CES1
SCHEMBL15381175 0.64 ESR2 (0.56) —
SCHEMBL10840037 0.64 HTR2C (0.41) HTR2AHTR2CHTR2BKCNH2
SCHEMBL10838832 0.61 HTR2A (0.33) HTR2AHTR2CHTR2BKCNH2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138176-B1 PROCESS FOR THE PREPARATION OF QUINOLINES BASF Aktiengesellschaft (DE) 1988-05-04 — — EP disclosed
US-4617395-A Preparation of quinolines BASF AKTIENGESELLSCHAFT (DE) 1986-10-14 — — US disclosed
EP-0138176-A2 Process for the preparation of quinolines BASF Aktiengesellschaft (DE) 1985-04-24 — — EP disclosed
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