SCHEMBL4634402

SCHEMBL4634402

CC1(C(=O)c2ccc(F)cc2)CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
HSD11B1 P28845 3/20 0.38
LMNA P02545 2/20 0.38
CYP2D6 P10635 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
CCR1 P32246 1/20 0.38
ALDH1A1 P00352 1/20 0.37
F2 P00734 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 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
SCHEMBL6357461 0.88 HSD11B1 (0.51) GPR183SMN1; SMN2POLBHSD11B1LMNA
SCHEMBL5473228 0.82 GPR183 (0.48) GPR183SMN1; SMN2POLBHSD11B1LMNA
SCHEMBL5473225 0.82 GPR183 (0.48) GPR183SMN1; SMN2POLBHSD11B1LMNA
SCHEMBL10924937 0.81 HRH2 (0.50) SMN1; SMN2HTTLMNARAB9AALDH1A1
SCHEMBL5671917 0.80 HDAC2 (0.49) LMNAALDH1A1KMT2A
SCHEMBL27416804 0.80 CES2 (0.45) HSD11B1NPC1TP53RAB9AALDH1A1
SCHEMBL3353694 0.78 GPR183 (0.39) GPR183HSD11B1
SCHEMBL10923597 0.77 DRD2 (0.58) CYP2D6KMT2A
SCHEMBL227735 0.76 CES2 (0.41) NPC1RAB9A
Bromide SCHEMBL10966858 0.74 OPRD1 (0.40) NPC1RAB9A

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
WO-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 WO claimed
EP-1928829-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2008-06-11 EP disclosed
WO-2006066948-A1 PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CC CHEMOKINE RECEPTOR CCR1 AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed