Benzylamine

Benzylamine

SCHEMBL11526467

NCc1ccccc1.O=C(O)CCCON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 15/20 0.53
TBXAS1 P24557 7/20 0.53
PSEN1 P49768 3/20 0.49
PSEN2 P49810 3/20 0.49
APH1B Q8WW43 3/20 0.49
NCSTN Q92542 3/20 0.49
APH1A Q96BI3 3/20 0.49
PSENEN Q9NZ42 3/20 0.49

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
SCHEMBL10892857 0.81 TBXA2R (0.74) TBXA2RTBXAS1
SCHEMBL11526469 0.78 PSEN1 (0.47) TBXA2RTBXAS1PSEN1PSEN2APH1B
SCHEMBL1284358 0.77 TBXA2R (0.79) TBXA2RTBXAS1
SCHEMBL11413107 0.75 PPARA (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
Adipic Acid SCHEMBL15656104 0.75 MAPT (0.64) TBXAS1
Sebacic Acid SCHEMBL7203711 0.73 MAPT (0.68) TBXAS1
Azelaic Acid SCHEMBL31309960 0.73 MAPT (0.68) TBXAS1
Glutarate SCHEMBL28239405 0.72 HDAC3 (0.63)
SCHEMBL5416824 0.71 PPARD (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11524276 0.71 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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-4176194-A ANTIINFLAMMATORY AGENTS; ANALGESICS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-11-27 US disclosed