SCHEMBL1920336

SCHEMBL1920336

CC1[C@@H](C(=O)O)[C@H](c2ccc(Cl)cc2)CN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL1970760 0.89 SLC6A4 (0.47) SLC6A4MAPT
SCHEMBL1972352 0.86 SLC6A3 (0.45) SLC6A4MAPT
SCHEMBL734283 0.82 SCD5 (0.41) SLC6A4MEN1KMT2AMAPT
SCHEMBL1717026 0.79 MAPT (0.59) MAPT
SCHEMBL5839370 0.76 DRD2 (0.40) MAPT
SCHEMBL1920169 0.76 MC1R (0.47) SLC6A4MEN1KMT2A
SCHEMBL9543098 0.73 MAPT (0.50) MAPT
SCHEMBL1946750 0.72 SIGMAR1 (0.45)
SCHEMBL2778415 0.72 RORC (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8210627 0.72 RORC (0.62) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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
EP-1716135-B1 PIPERIDINYLCARBONYL-PYRROLIDINES AND THEIR USE AS MELANOCORTIN AGONISTS PFIZER LTD (GB) 2011-06-01 EP disclosed