SCHEMBL11329889

SCHEMBL11329889

CCN1CCCCC1CCc1ccccc1NC(=O)C=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.48
HRH2 P25021 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
KCNH2 Q12809 1/20 0.48
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
CYSLTR2 Q9NS75 2/20 0.46
CYSLTR1 Q9Y271 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
EGFR P00533 6/20 0.46
MMP1 P03956 5/20 0.46
MMP2 P08253 5/20 0.46
MMP9 P14780 5/20 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
Iferanserin SCHEMBL658305 0.89 DRD1 (0.62) DRD1HRH2HTR2AHTR2COPRK1
Iferanserin SCHEMBL658304 0.89 DRD1 (0.62) DRD1HRH2HTR2AHTR2COPRK1
Iferanserin SCHEMBL4121794 0.89 DRD1 (0.62) DRD1HRH2HTR2AHTR2COPRK1
Iferanserin SCHEMBL658953 0.88 DRD1 (0.61) DRD1HRH2HTR2AHTR2COPRK1
Iferanserin SCHEMBL659141 0.88 DRD1 (0.61) DRD1HRH2HTR2AHTR2COPRK1
SCHEMBL11321421 0.83 HTR2A (0.55) DRD1HRH2HTR2AHTR2COPRK1
SCHEMBL10001072 0.82 DRD1 (0.59) DRD1HRH2HTR2AHTR2COPRK1
SCHEMBL11324399 0.81 EGFR (0.49) RAB9ANPC1CYSLTR2CYSLTR1CYP1A2
SCHEMBL11327431 0.78 CYSLTR2 (0.45) DRD1HRH2HTR2AHTR2COPRK1
Water SCHEMBL11331401 0.78 CYSLTR2 (0.44) DRD1HRH2HTR2AHTR2COPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30812-E ANTIARRHTHMIA AGENTS MEAD JOHNSON & COMPANY (US) 1981-12-01 US disclosed
US-RE30811-E SEROTONIN ANTAGONISTS, ANTIARRHYTHMIA AGENTS MEAD JOHNSON & COMPANY (US) 1981-12-01 US disclosed
US-4064254-A ANTIARRHYTHMIC AND ANTISEROTONINE AGENTS MEAD JOHNSON & COMPANY (US) 1977-12-20 US disclosed
US-4000143-A ANTIARRHYTHMIC AND ANTISEROTONIN AGENTS MEAD JOHNSON & COMPANY (US) 1976-12-28 US disclosed
US-3931195-A ANTIARRHYTHMIA, ANTISEROTONIN MEAD JOHNSON & COMPANY (US) 1976-01-06 US disclosed