Sugi Predict

Sugi Predict / Compounds / SCHEMBL9130764

SCHEMBL9130764

SCHEMBL9130764

C[C@H](NCc1ccc(OCCCc2ccccc2)cc1)C(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.61
▸ HRH1 P35367 1/20 0.61
▸ SCN9A Q15858 2/20 0.61
▸ MAOB P27338 2/20 0.60
▸ MAOA P21397 1/20 0.60
▸ FFAR1 O14842 1/20 0.56

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
SCHEMBL1067813 1.00 HRH3 (0.61) HRH3HRH1SCN9AMAOBMAOA
SCHEMBL1071683 0.96 HRH3 (0.60) HRH3HRH1SCN9AMAOBMAOA
SCHEMBL9132534 0.95 HRH3 (0.57) HRH3HRH1SCN9AMAOBMAOA
SCHEMBL1071042 0.95 HRH3 (0.59) HRH3HRH1SCN9AMAOBMAOA
SCHEMBL7397141 0.94 SCN9A (0.62) HRH3HRH1SCN9AMAOBMAOA
SCHEMBL9515260 0.94 SCN9A (0.62) HRH3HRH1SCN9AMAOBMAOA
SCHEMBL9134996 0.92 HRH3 (0.56) HRH3HRH1SCN9AMAOBMAOA
SCHEMBL8639384 0.89 MAOB (0.61) HRH3HRH1SCN9AMAOBMAOA
SCHEMBL8634713 0.89 HRH3 (0.60) HRH3HRH1SCN9AMAOBMAOA
SCHEMBL8636182 0.86 MAOB (0.78) SCN9AMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5391577-A Active on central nervous system; antiepileptic agents FARMITALIA CARLO ERBA S R L (IT) 1995-02-21 — — US disclosed
US-5236957-A Antiepileptic agents FARMITALIA CARLO ERBA SRL (IT) 1993-08-17 — — US disclosed