SCHEMBL5250554

SCHEMBL5250554

CN(Cc1cccc(C(F)(F)F)c1)CC1(N2CCNCC2)Cc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.45
SLC6A2 P23975 2/20 0.44
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
HTR2C P28335 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR1D P28221 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
TACR1 P25103 2/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
FTO Q9C0B1 1/20 0.39
HTR2B P41595 2/20 0.38
MEN1 O00255 2/20 0.38

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 SCHEMBL4827379 0.99 SLC6A4 (0.44) SLC6A4SLC6A2OPRM1OPRL1HTR2C
SCHEMBL5248023 0.91 TACR1 (0.42) TACR1
Hydrochloric Acid SCHEMBL4830251 0.90 TACR1 (0.41) TACR1
SCHEMBL5245485 0.88 TACR1 (0.43) SLC6A4TACR1
Hydrochloric Acid SCHEMBL4835695 0.87 TACR1 (0.43) SLC6A4TACR1
SCHEMBL5249405 0.84 SIGMAR1 (0.40) SLC6A4SLC6A2OPRM1HTR2CALDH1A1
Hydrochloric Acid SCHEMBL4835398 0.83 SIGMAR1 (0.39) SLC6A4SLC6A2OPRM1HTR2CALDH1A1
SCHEMBL5245183 0.81 TACR1 (0.37) SLC6A4SLC6A2OPRM1OPRL1HTR2C
Hydrochloric Acid SCHEMBL4834834 0.80 TACR1 (0.36) SLC6A4SLC6A2HTR2CTACR1MEN1
SCHEMBL5245187 0.80 SLC6A4 (0.46) SLC6A4SLC6A2OPRM1OPRL1TACR1

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-1707564-B1 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-09-12 EP disclosed