SCHEMBL7963995

SCHEMBL7963995

C[C@@H]1C[C@@H](c2nc3ccccc3s2)CCN1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 2/20 0.67
UBE2M P61081 7/20 0.44
DCUN1D1 Q96GG9 7/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 5/20 0.44
TP53 P04637 3/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
GRM2 Q14416 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 4/20 0.42
ALOX12 P18054 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7964001 1.00 KMT2A (0.67) KMT2AMEN1UBE2MDCUN1D1GAA
SCHEMBL7963999 1.00 KMT2A (0.67) KMT2AMEN1UBE2MDCUN1D1GAA
SCHEMBL16545296 0.81 KMT2A (0.59) KMT2AMEN1UBE2MDCUN1D1GAA
SCHEMBL2710382 0.80 KMT2A (1.00) KMT2AMEN1UBE2MDCUN1D1GAA
SCHEMBL5758952 0.80 ALDH1A1 (0.43) KMT2AMEN1GAAALDH1A1TP53
SCHEMBL5761670 0.80 ALDH1A1 (0.43) KMT2AMEN1GAAALDH1A1TP53
SCHEMBL5761660 0.80 ALDH1A1 (0.43) KMT2AMEN1GAAALDH1A1TP53
SCHEMBL5758961 0.80 ALDH1A1 (0.43) KMT2AMEN1GAAALDH1A1TP53
SCHEMBL5758956 0.80 ALDH1A1 (0.43) KMT2AMEN1GAAALDH1A1TP53
SCHEMBL24819771 0.79 KMT2A (0.57) KMT2AMEN1UBE2MDCUN1D1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed