SCHEMBL5247733

SCHEMBL5247733

O=C(NCc1cc(F)cc(C(F)(F)F)c1)C1(N2CCNCC2)Cc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.52
NAMPT P43490 1/20 0.48
CYP3A4 P08684 8/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
CCR2 P41597 6/20 0.46
HTT P42858 1/20 0.45
MTOR P42345 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
Hydrochloric Acid SCHEMBL4832631 0.99 TACR1 (0.51) TACR1NAMPTCYP3A4LMNATSHR
SCHEMBL5247333 0.94 TACR1 (0.58) TACR1CCR2MTOR
Hydrochloric Acid SCHEMBL4837314 0.93 TACR1 (0.57) TACR1CCR2MTOR
SCHEMBL4834954 0.91 METAP2 (0.47) TACR1
Hydrochloric Acid SCHEMBL4836273 0.90 METAP2 (0.47) TACR1
SCHEMBL5248595 0.88 TACR1 (0.47) TACR1NAMPTMTOR
Hydrochloric Acid SCHEMBL4832298 0.87 TACR1 (0.46) TACR1NAMPTMTOR
SCHEMBL5247345 0.86 METAP2 (0.52)
Hydrochloric Acid SCHEMBL4837577 0.85 METAP2 (0.51)
SCHEMBL5246557 0.84 NPC1 (0.48) LMNATSHRALDH1A1MAPK1

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-1707564-B1 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-09-12 EP disclosed
EP-1707564-A2 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2006-10-04 EP disclosed