SCHEMBL7249608

SCHEMBL7249608

CC(=O)NCC1(CN)CC[S+]([O-])CC1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7249055 0.76 KDM4E (0.38) PAOXOPRM1OPRL1USP2ALDH1A1
SCHEMBL7249111 0.76 PAOX (0.32) PAOXOPRM1OPRL1USP2ALDH1A1
SCHEMBL7254020 0.75 TSHR (0.34) PAOXOPRM1OPRL1USP2ALDH1A1
SCHEMBL7250456 0.75 NPSR1 (0.37) PAOXOPRM1OPRL1USP2ALDH1A1
SCHEMBL7248649 0.72 USP2 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL15140673 0.72 PAOX (0.34) PAOXALDH1A1TSHR
SCHEMBL20757934 0.66 NPSR1 (0.37) PAOXOPRM1OPRL1ALDH1A1LMNA
SCHEMBL14829313 0.66 CYP1A2 (0.42) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL13165680 0.66 TSHR (0.41) OPRM1OPRL1USP2ALDH1A1LMNA
SCHEMBL16790587 0.66 NPSR1 (0.37) PAOXOPRM1OPRL1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545022-B1 Treatment of epilepsy, faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, panic, pain, neuropathological disorders, inflammatory diseases, and gastrointestinal disorders PFIZER INC. 2003-04-08 US disclosed