SCHEMBL8425640

SCHEMBL8425640

COc1cccc(CC2(N3CCNCC3)CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.41
ALDH1A1 P00352 2/20 0.40
OPRL1 P41146 2/20 0.39
OPRK1 P41145 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 2/20 0.39
CYP2D6 P10635 1/20 0.38
SLC6A3 Q01959 1/20 0.38
OPRD1 P41143 2/20 0.38
MAPT P10636 1/20 0.38
ADRB1 P08588 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8422440 0.89 SLC6A2 (0.41) ALDH1A1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL8422264 0.81 HTR1D (0.57) MEN1KMT2A
SCHEMBL8424657 0.81 OPRL1 (0.49) ALDH1A1OPRL1OPRK1MEN1KMT2A
SCHEMBL8520123 0.79 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL666867 0.78 OPRL1 (0.61) ALDH1A1OPRL1MEN1KMT2A
SCHEMBL8423867 0.75 OPRL1 (0.44) OPRL1OPRK1OPRD1
SCHEMBL8425620 0.74 DRD2 (0.41) SLC6A2SLC6A4
SCHEMBL7038207 0.72 HTR1D (0.69) ALDH1A1OPRL1MEN1KMT2A
SCHEMBL8425473 0.72 HTR1D (0.52) ALDH1A1MEN1KMT2AMAPT
SCHEMBL8423851 0.72 HTR1D (0.59) MEN1KMT2AMAPT

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-5919802-A Methods of preventing and/or treating temporal lobe epilepsy PRINCETON UNIVERSITY (US) 1999-07-06 US disclosed