SCHEMBL7416617

SCHEMBL7416617

Cn1c2c(c3ccccc31)CC(OC(=O)c1ccccc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
CHRNA7 P36544 2/20 0.48
HTR5A P47898 1/20 0.46
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PKM P14618 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CYP1A2 P05177 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
SCHEMBL12127611 0.88 HTR6 (0.45) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL12127631 0.88 MEN1 (0.44) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL7413011 0.83 PTGDR2 (0.46) KMT2AMEN1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL7452433 0.82 PTGDR2 (0.45) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL7408065 0.82 HDAC6 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7408312 0.81 DRD2 (0.53) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL12127589 0.80 MEN1 (0.44) KMT2AMEN1HTR3EHTR3BHTR3A
SCHEMBL7415530 0.79 TBXA2R (0.50)
SCHEMBL7406719 0.74 HTR2A (0.53) HTR5AHTR2AHTR2CCYP1A2CYP2D6
SCHEMBL9055755 0.74 CHRM2 (0.50) KMT2AMEN1CYP1A2CYP2D6

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