SCHEMBL8104935

SCHEMBL8104935

CCSc1ccc(OCCN)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
LTA4H P09960 2/20 0.48
PLA2G2A P14555 1/20 0.48
CYP19A1 P11511 7/20 0.45
ESR1 P03372 6/20 0.45
ESR2 Q92731 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP3A5 P20815 1/20 0.44
SLC6A4 P31645 2/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL9770243 0.81 LTA4H (0.53) TAAR1LTA4H
SCHEMBL8100987 0.80 TAAR1 (0.54) TAAR1LTA4HPLA2G2ACYP19A1ESR1
SCHEMBL27708005 0.79 TAAR1 (0.58) TAAR1LTA4HPLA2G2ACYP19A1ESR1
SCHEMBL18883698 0.79 NQO1 (0.64) LTA4HSMN1; SMN2SLC6A4MAOA
SCHEMBL11159536 0.79 CA12 (0.47) LTA4HCYP19A1SMN1; SMN2CYP3A4CYP1A2
SCHEMBL6714503 0.78 TAAR1 (0.75) TAAR1LTA4HPLA2G2ACYP19A1ESR1
SCHEMBL11926392 0.78 PKM (0.46) TAAR1LTA4HPLA2G2ACYP19A1ESR1
SCHEMBL2154747 0.77 NQO1 (0.54) LTA4HSMN1; SMN2
SCHEMBL9856269 0.75 TAAR1 (0.44) TAAR1LTA4HPLA2G2ACYP19A1ESR1
SCHEMBL15128070 0.75 NR5A1 (0.54) LTA4HCYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874805-B1 PHENYLACETAMIDE DERIVATIVES KOREA RES INST CHEM TECH (KR) 2000-09-20 EP disclosed
US-5973201-A ANALGESICS; ANTIINFLAMMATORY AGENTS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1999-10-26 US disclosed
EP-0874805-A1 PHENYLACETAMIDE DERIVATIVES Korea Research Institute of Chemical Technology (KR) 1998-11-04 EP disclosed
WO-1997021668-A1 PHENYLACETAMIDE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-06-19 WO disclosed