SCHEMBL7411494

SCHEMBL7411494

Cc1ccc(C(=O)OCc2cccc3c4c([nH]c23)CCC(N(C)C)C4)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.41
RXFP1 Q9HBX9 2/20 0.39
HTR6 P50406 5/20 0.39
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CHRM3 P20309 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL7412016 0.92 HTR1F (0.40) HTR1FHTR6MEN1KMT2ACHRM3
SCHEMBL7411529 0.90 HTR1F (0.43) HTR1FRXFP1HTR6ALDH1A1LMNA
SCHEMBL7409286 0.80 HTR1F (0.37) HTR1FHTR6ALDH1A1KMT2ACHRM3
SCHEMBL7410521 0.79 HTR1F (0.41) HTR1FHTR6ALDH1A1LMNACHRM3
SCHEMBL7407854 0.79 CHRM3 (0.44) HTR1FCHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL7407442 0.78 HTR1F (0.41) HTR1FHTR6ALDH1A1LMNACHRM3
SCHEMBL7408142 0.77 HTR1F (0.47) HTR1FALDH1A1LMNAKDM4EMEN1
Hydrochloric Acid SCHEMBL7407346 0.77 ALDH1A1 (0.44) HTR1FALDH1A1LMNAKDM4E
SCHEMBL7417232 0.77 BRD4 (0.41) HTR1FALDH1A1MEN1KMT2ARAB9A
SCHEMBL7412099 0.76 CHRM3 (0.40) HTR1FCHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed