SCHEMBL7867413

SCHEMBL7867413

CCN1CC=C(c2[nH]c3c(C#N)cccc3c2OC(=O)C(=O)Oc2c(C3=CCN(CC)CC3)[nH]c3c(C#N)cccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.39
HTR1D P28221 1/20 0.38
HTR6 P50406 2/20 0.36
MAPT P10636 1/20 0.35
PARP1 P09874 2/20 0.34
CCNT1 O60563 7/20 0.34
CDK9 P50750 7/20 0.34
HTR1F P30939 1/20 0.33
MEN1 O00255 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
SCHEMBL7866250 0.86 KDM4E (0.41) KDM4ELMNAKMT2ASMN1; SMN2ALOX15
SCHEMBL7868005 0.82 HTR6 (0.41) KDM4ELMNAALOX15HTR6PARP1
SCHEMBL7868031 0.81 HTR6 (0.46) KDM4ELMNAALOX15HTR6MAPT
SCHEMBL7864926 0.75 NOS3 (0.37) SMN1; SMN2PARP1
Oxalic Acid SCHEMBL7867400 0.74 KDM4E (0.55) KDM4ELMNAKMT2ASMN1; SMN2ALOX15
Oxalic Acid SCHEMBL7867409 0.73 KMT2A (0.42) KDM4ELMNAKMT2ASMN1; SMN2ALOX15
SCHEMBL7866361 0.71 KDM4E (0.37) KDM4ELMNAKMT2ASMN1; SMN2ALOX15
Oxalic Acid SCHEMBL7866244 0.71 CCNT1 (0.43) KDM4ELMNAKMT2ASMN1; SMN2ALOX15
Oxalic Acid SCHEMBL7870914 0.69 KMT2A (0.45) KDM4ELMNAKMT2ASMN1; SMN2ALOX15
Oxalic Acid SCHEMBL7864973 0.69 KDM4E (0.43) KDM4ELMNAKMT2ASMN1; SMN2ALOX15

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
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed