SCHEMBL7764320

SCHEMBL7764320

CC(CC(N)=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
RAD52 P43351 1/20 0.45
KDM4E B2RXH2 3/20 0.44
OGA O60502 1/20 0.43
SLC6A9 P48067 3/20 0.43
AOC3 Q16853 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
CYP3A4 P08684 1/20 0.40
CCR1 P32246 1/20 0.39
MLYCD O95822 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL7760522 0.81 SIRT6 (0.54) AKR1C3ALDH1A1MAPT
SCHEMBL7763392 0.76 MAPT (0.52) KDM4EALDH1A1MAPTCCR1
SCHEMBL5776667 0.73 GPR119 (0.51) AKR1C3SLC6A9GPR119CTSBCTSS
SCHEMBL7768602 0.72 AKR1C3 (0.55) AKR1C3SLC6A9GPR119CTSBCTSS
SCHEMBL22495385 0.72 MAPT (0.58) AKR1C3RAD52KDM4EGPR119ALDH1A1
SCHEMBL27643066 0.71 AKR1C3 (0.68) AKR1C3SLC6A9GPR119CTSBCTSS
SCHEMBL3486778 0.71 GPR119 (0.61) AKR1C3KDM4EGPR119CTSBCTSS
SCHEMBL7768608 0.70 MAPT (0.60) ALDH1A1MAPTCYP3A4
SCHEMBL28170767 0.70 AKR1C3 (0.58) AKR1C3KDM4EGPR119ALDH1A1MAPT
SCHEMBL12826096 0.69 LMNA (0.59) AKR1C3GPR119ALDH1A1MAPTPKM

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-0561520-B1 Toner compositions with coupled liquid glass resins and image developing method using them XEROX CORP (US) 2001-06-13 EP claimed
EP-1104413-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING THEM ELI LILLY AND COMPANY LIMITED (GB) 2001-06-06 EP disclosed
WO-2000008006-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUNDS CONTAINING THEM ELI LILLY AND COMPANY LIMITED (GB) 2000-02-17 WO disclosed