SCHEMBL8989463

SCHEMBL8989463

COCC(=O)c1ccccc1NC1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CDK2 P24941 1/20 0.43
BRD4 O60885 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 2/20 0.39
NSD2 O96028 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
ALDH1A1 P00352 2/20 0.38
DDR1 Q08345 1/20 0.38
TSHR P16473 1/20 0.38
SSTR1 P30872 1/20 0.37
SSTR4 P31391 1/20 0.37
HTR6 P50406 2/20 0.37
CHRM2 P08172 1/20 0.37

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
SCHEMBL10431879 0.88 BRD4 (0.40) CDK1CDK4CCND1CDK2BRD4
SCHEMBL8989418 0.85 BRD4 (0.42) CDK1CDK4CCND1CDK2BRD4
SCHEMBL12415572 0.83 KDM4E (0.53) CDK1CDK4CCND1CDK2KDM4E
SCHEMBL28528412 0.79 KAT2B (0.46) CDK1CDK4CCND1CDK2BRD4
SCHEMBL30776204 0.79 GRIK1 (0.52) BRD4ATAD2KDM4EHSD17B10NSD2
SCHEMBL4497370 0.77 AURKA (0.42) CDK1CDK4CCND1CDK2BRD4
SCHEMBL377833 0.77 SIRT2 (0.56) CDK1CDK4CCND1CDK2BRD4
SCHEMBL8989435 0.77 KDM1A (0.50) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL10975531 0.75 KMT2A (0.47) CDK1CDK4CCND1CDK2BRD4
SCHEMBL28111714 0.74 GRIK1 (0.41) KDM4EALDH1A1HPGDNPSR1

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
EP-0383579-B1 N-Phenyl-N-(4-piperidinyl)amides useful as analgesics GLAXO WELLCOME INC (US) 1996-07-17 EP disclosed
US-5019583-A N-phenyl-N-(4-piperidinyl)amides useful as analgesics GLAXO INC. (US) 1991-05-28 US disclosed
EP-0383579-A1 N-Phenyl-N-(4-piperidinyl)amides useful as analgesics GLAXO WELLCOME INC. (US) 1990-08-22 EP disclosed