SCHEMBL9846435

SCHEMBL9846435

CC(C)(C)N[C@@H]1CC(c2ccccc2)(c2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
KDM4A O75164 3/20 0.32
KDM4B O94953 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
MAOB P27338 5/20 0.31
MAOA P21397 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
OPRM1 P35372 1/20 0.30
GRIN1 Q05586 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRIN2A Q12879 1/20 0.30

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 SCHEMBL8992387 0.98 HTR2A (0.33) LMNAKDM4AKDM4BKDM4CMAOB
Hydrochloric Acid SCHEMBL8992457 0.98 HTR2A (0.33) LMNAKDM4AKDM4BKDM4CMAOB
Hydrochloric Acid SCHEMBL8992462 0.76 MGAM (0.35) MAOBALDH1A1HTR2AHTR2CHTR2B
SCHEMBL9587286 0.67 OPRM1 (0.42) MAOBMAOAALDH1A1HTR2AHTR2C
SCHEMBL9586402 0.64 ALDH1A1 (0.37) LMNAMAOBALDH1A1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL8992428 0.64 SLC6A2 (0.39) ALDH1A1HTR2CMAPK1
SCHEMBL8992294 0.63 ALDH1A1 (0.37) LMNAMAOBMAOAALDH1A1KCNH2
SCHEMBL8992309 0.63 ALDH1A1 (0.37) LMNAMAOBMAOAALDH1A1KCNH2
SCHEMBL8992275 0.62 MAOB (0.32) MAOBMAOAHTR2AHTR2CHTR2B
SCHEMBL8992298 0.62 OPRM1 (0.41) MAOBMAOAALDH1A1GRIN2DGRIN3B

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-0445749-A1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-11 EP disclosed