SCHEMBL734283

SCHEMBL734283

CC1[C@@H](C(=O)O)[C@H](c2ccc(Cl)cn2)CN1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SLC6A4 P31645 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
MAPT P10636 1/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SCD O00767 1/20 0.36
TSHR P16473 2/20 0.36
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1920336 0.82 SLC6A4 (0.42) SLC6A4MAPTMEN1KMT2A
SCHEMBL731368 0.75 ALDH1A1 (0.47) SCD5ALDH1A1MAOAMAOB
SCHEMBL1717026 0.75 MAPT (0.59) MAPTTSHRBRD4LMNAPDK1
SCHEMBL1972352 0.74 SLC6A3 (0.45) SLC6A4MAPT
Hydrochloric Acid SCHEMBL731618 0.74 ALDH1A1 (0.46) SCD5ALDH1A1MAOAMAOBDRD2
SCHEMBL1970760 0.74 SLC6A4 (0.47) SLC6A4MAPTL3MBTL1HTTPDK1
SCHEMBL731968 0.73 LMNA (0.42) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL1920169 0.71 MC1R (0.47) SLC6A4MEN1KMT2A
SCHEMBL734281 0.71 ALDH1A1 (0.46) ALDH1A1MAOAMAOB
SCHEMBL733359 0.71 PDE10A (0.34) MAPTBRD4L3MBTL1HTT

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-8138188-B2 Melanocortin type 4 receptor agonist piperidinoylpyrrolidines PFIZER INC. (US) 2012-03-20 US disclosed