SCHEMBL7404609

SCHEMBL7404609

Cc1cccc2c3c([nH]c12)CCC(OC(=O)c1ccccc1)C3

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
CHRNA7 P36544 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
GFER P55789 1/20 0.40
PARP14 Q460N5 1/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38

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
SCHEMBL7412807 0.87 CHRNA7 (0.41) APOBEC3AAPOBEC3GCHRNA7KMT2AMEN1
SCHEMBL7413413 0.86 MCL1 (0.39) APOBEC3AAPOBEC3GCHRNA7KMT2AMEN1
SCHEMBL7408757 0.84 CHRNA7 (0.39) APOBEC3AAPOBEC3GCHRNA7KMT2AMEN1
SCHEMBL7407777 0.83 NR2E1 (0.53) APOBEC3AAPOBEC3GCHRNA7KMT2AMEN1
Hydrochloric Acid SCHEMBL7417242 0.82 NR2E1 (0.52) APOBEC3AAPOBEC3GCHRNA7KMT2AMEN1
SCHEMBL7408135 0.82 SSTR3 (0.39) APOBEC3AAPOBEC3GCHRNA7KMT2AMEN1
SCHEMBL7410585 0.80 KMT2A (0.51) CHRNA7KMT2AMEN1GAAHTR3E
SCHEMBL7408845 0.78 CYP2C9 (0.40) CHRNA7GAAPARP14CDK4CCND1
SCHEMBL7412750 0.78 CGAS (0.44) APOBEC3AAPOBEC3GCHRNA7KMT2AMEN1
SCHEMBL7409584 0.77 MAPT (0.39) KMT2AMEN1PARP14

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