SCHEMBL4634716

SCHEMBL4634716

C=CC1(Cc2ccc(F)cc2)CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GPR183 P32249 1/20 0.37
POLB P06746 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
SCHEMBL5674643 0.81 KDM1A (0.45) KMT2A
SCHEMBL4634537 0.80 CYP46A1 (0.50) HSD11B1
Hydrochloric Acid SCHEMBL5810883 0.77 HSD11B1 (0.43) HSD11B1ALDH1A1POLB
SCHEMBL2798597 0.75 ALDH1A1 (0.43) HSD11B1ALDH1A1POLB
SCHEMBL4634991 0.75 HSD11B1 (0.41) HSD11B1KMT2AFAAHALDH1A1POLB
SCHEMBL5807513 0.73 HTT (0.41) HSD11B1FAAHALDH1A1
SCHEMBL4634337 0.73 OPRM1 (0.43) HSD11B1KMT2A
SCHEMBL4635362 0.73 HSD11B1 (0.40) HSD11B1KMT2AFAAHALDH1A1POLB
SCHEMBL4634957 0.72 HSD11B1 (0.44) HSD11B1KMT2AALDH1A1POLB
SCHEMBL21391900 0.71 FAAH (0.65) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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