SCHEMBL7412936

SCHEMBL7412936

COc1ccc(-c2ccc3[nH]c4c(c3c2)CC(N(C)C)CC4)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.57
HTR1B P28222 3/20 0.57
HTR1F P30939 1/20 0.50
HTR6 P50406 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 3/20 0.43
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
CYP2C9 P11712 1/20 0.43
RECQL P46063 2/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR7 P34969 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7403551 0.90 HTR1D (0.69) HTR1DHTR1BHTR1FHTR6CYP1A2
SCHEMBL7661347 0.84 HTR1F (0.58) HTR1DHTR1BHTR1FHTR6LMNA
SCHEMBL7407989 0.83 HTR1D (0.55) HTR1DHTR1BHTR1FHTR6CYP1A2
Hydrochloric Acid SCHEMBL7405179 0.82 HTR1D (0.54) HTR1DHTR1BHTR1FHTR6CYP1A2
SCHEMBL7664459 0.80 HTR1F (0.79) HTR1DHTR1BHTR1FALOX15MEN1
SCHEMBL7457595 0.80 KMT2A (0.58) HTR1DHTR1BHTR1FHSD17B10LMNA
SCHEMBL7407748 0.79 HTR1D (0.51) HTR1DHTR1BHTR1FHTR6MEN1
SCHEMBL7415729 0.79 HTR1D (0.51) HTR1DHTR1BHTR1FHTR6LMNA
SCHEMBL7403681 0.79 HTR1F (0.56) HTR1DHTR1BHTR1FHSD17B10LMNA
Hydrochloric Acid SCHEMBL7406268 0.78 HTR1D (0.50) HTR1DHTR1BHTR1FHTR6CYP1A2

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