SCHEMBL9133333

SCHEMBL9133333

CC(NCc1ccc(OCCCc2c(Cl)cccc2Cl)cc1)C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.57
HRH1 P35367 1/20 0.57
MAOB P27338 3/20 0.55
SCN9A Q15858 2/20 0.55
MAOA P21397 2/20 0.55
HTR6 P50406 3/20 0.47

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
SCHEMBL9134136 0.96 HRH3 (0.53) HRH3HRH1MAOBSCN9AMAOA
SCHEMBL8640778 0.88 SCN9A (0.61) HRH3HRH1MAOBSCN9AMAOA
SCHEMBL8634713 0.85 HRH3 (0.60) HRH3HRH1MAOBSCN9AMAOA
SCHEMBL8636505 0.84 MAOB (0.59) HRH3HRH1MAOBSCN9AMAOA
SCHEMBL8639402 0.84 SCN9A (0.57) HRH3HRH1MAOBSCN9AMAOA
SCHEMBL1067813 0.83 HRH3 (0.61) HRH3HRH1MAOBSCN9AMAOA
SCHEMBL9130764 0.83 HRH3 (0.61) HRH3HRH1MAOBSCN9AMAOA
SCHEMBL8637814 0.82 MAOB (0.56) HRH3HRH1MAOBSCN9AMAOA
SCHEMBL8635184 0.81 HRH3 (0.56) HRH3HRH1MAOBSCN9AMAOA
SCHEMBL1071683 0.80 HRH3 (0.60) HRH3HRH1MAOBSCN9AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446066-A Antiepileptic, antidepressants, antispastic agent FARMITALIA CARLO ERBA S.R.L. (IT) 1995-08-29 US claimed
EP-0643688-A1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1995-03-22 EP claimed
WO-1994022808-A1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS FARMITALIA CARLO ERBA SRL (IT) 1994-10-13 WO claimed
US-5446066-A Antiepileptic, antidepressants, antispastic agent FARMITALIA CARLO ERBA S.R.L. (IT) 1995-08-29 US disclosed
EP-0643688-A1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1995-03-22 EP disclosed
WO-1994022808-A1 SUBSTITUTED (ARYLALKOXYBENZYL)AMINOPROPANAMIDE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-EPILEPTIC, NEUROPROTECTIVE AND ANTIDEPRESSANT AGENTS FARMITALIA CARLO ERBA SRL (IT) 1994-10-13 WO disclosed