SCHEMBL7337323

SCHEMBL7337323

CC(O)CN1CCNCC1C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
OPRD1 P41143 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 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
SCHEMBL10385681 0.79 TDP1 (0.35) TDP1
SCHEMBL10351152 0.78 OPRD1 (0.42) TDP1OPRD1MEN1KMT2A
SCHEMBL16757387 0.77 TDP1 (0.42) TDP1OPRD1CYP2D6
SCHEMBL9844393 0.76 OPRD1 (0.42) TDP1OPRD1
Hydrochloric Acid SCHEMBL8693217 0.76 TDP1 (0.43) TDP1MEN1KMT2ACYP2D6
SCHEMBL16757280 0.76 TDP1 (0.46) TDP1OPRD1MEN1KMT2ACYP2D6
SCHEMBL5683230 0.76 TDP1 (0.41) TDP1OPRD1CYP2D6
Hydrochloric Acid SCHEMBL6540416 0.75 MEN1 (0.42) TDP1MEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL6540563 0.75 MEN1 (0.42) TDP1MEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL6541247 0.75 MEN1 (0.42) TDP1MEN1KMT2ACYP2D6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4225955-A None JP disclosed
US-5215987-A Carbdiotonic agents ORTHO PHARMACEUTICAL CORPORATION (US) 1993-06-01 US disclosed
US-5215987-A Carbdiotonic agents ORTHO PHARMACEUTICAL CORPORATION (US) 1993-06-01 US disclosed
JP-H04225955-A SUBSTITUTED BENZHYDRYL 2-HYDROXYPROPYL PIPERAZINE DERIVATIVE ORTHO PHARMACEUT CORP 1992-08-14 JP disclosed
EP-0458459-A2 Substituted benzhydryl 2-hydroxypropyl piperazine derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1991-11-27 EP disclosed
EP-0458459-A2 Substituted benzhydryl 2-hydroxypropyl piperazine derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1991-11-27 EP disclosed
EP-0458459-A2 Substituted benzhydryl 2-hydroxypropyl piperazine derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1991-11-27 EP disclosed