SCHEMBL9820835

SCHEMBL9820835

CC(C)(C)c1ccc(C2CC2CC2CCNCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.41
EP300 Q09472 9/20 0.41
KDM1A O60341 5/20 0.40
MAOB P27338 4/20 0.40
MAOA P21397 3/20 0.40
CREBBP Q92793 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37

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 0.76 HTR2C (0.49) HTR2CKDM1AMAOBHTR2AHTR2B
SCHEMBL9820788 0.73 HTR2C (0.49) HTR2CKDM1AMAOBHTR2AHTR2B
SCHEMBL300623 0.72 HTR2C (0.67) HTR2C
SCHEMBL4247865 0.71 GBA1 (0.59) EP300CREBBP
Hydrochloric Acid SCHEMBL23858205 0.71 HTR2C (0.68) HTR2C
SCHEMBL18892649 0.70 EP300 (0.45) EP300CREBBP
Hydrochloric Acid SCHEMBL7400329 0.70 GBA1 (0.58) EP300CREBBP
SCHEMBL9597729 0.69 P2RY14 (0.44) HTR2CEP300
SCHEMBL30075690 0.69 P2RY14 (0.44) HTR2CEP300
SCHEMBL23873276 0.69 P2RY14 (0.44) HTR2CEP300

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