SCHEMBL9820788

SCHEMBL9820788

CC(C)(C)c1ccc(C2CC2CCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.49
HTR2B P41595 13/20 0.44
HTR2A P28223 9/20 0.44
KDM1A O60341 1/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
MAOB P27338 2/20 0.40

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
SCHEMBL5801186 0.81 HTR2C (0.49) HTR2CHTR2BHTR2AKDM1ASLC6A2
SCHEMBL20080189 0.76 HTR2C (0.66) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL15415942 0.74 HTR2C (0.63) HTR2CHTR2BHTR2AKDM1ASLC6A2
SCHEMBL28950360 0.73 SLC6A2 (0.50) HTR2CHTR2BHTR2AKDM1ASLC6A2
SCHEMBL9820835 0.73 HTR2C (0.41) HTR2CHTR2BHTR2AKDM1AMAOB
SCHEMBL25069257 0.72 KDM1A (0.54) HTR2CKDM1ASLC6A2SLC6A3MAOB
SCHEMBL15213072 0.72 KDM1A (0.42) HTR2CHTR2BKDM1ASLC6A2SLC6A4
SCHEMBL22436649 0.72 SLC6A2 (0.45) HTR2CKDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL15201821 0.72 KDM1A (0.42) HTR2CHTR2BKDM1ASLC6A2SLC6A4
SCHEMBL15201822 0.72 KDM1A (0.42) HTR2CHTR2BKDM1ASLC6A2SLC6A4

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
EP-0188887-B1 TERTIARY AMINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-02 EP disclosed
EP-0188887-A1 Tertiary amine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-07-30 EP disclosed