SCHEMBL7825903

SCHEMBL7825903

O=C(O)CCCNC(=O)c1ccncc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.88
CYP2C9 P11712 1/20 0.88
CYP2C19 P33261 1/20 0.88
MAPK1 P28482 1/20 0.67
NAAA Q02083 1/20 0.64
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
TSHR P16473 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 1/20 0.57
FABP4 P15090 1/20 0.57
EPHX2 P34913 2/20 0.56
NPC1 O15118 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL10102739 0.93 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19MAPK1NAAA
SCHEMBL3203823 0.89 CYP1A2 (0.76) CYP1A2CYP2C9CYP2C19MAPK1NAAA
SCHEMBL9717451 0.87 MAPK1 (0.85) CYP1A2CYP2C9CYP2C19MAPK1ALDH1A1
SCHEMBL16469025 0.85 NAAA (0.83) CYP1A2CYP2C9CYP2C19MAPK1NAAA
SCHEMBL19133496 0.84 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19MAPK1NAAA
SCHEMBL2033165 0.84 MAPK1 (0.73) CYP1A2CYP2C9CYP2C19MAPK1NAAA
SCHEMBL9339173 0.83 MAPT (0.69) CYP1A2CYP2C9CYP2C19NAAARAB9A
SCHEMBL3513082 0.82 NAAA (0.68) CYP1A2CYP2C9CYP2C19NAAARAB9A
SCHEMBL3513083 0.82 NAAA (0.68) CYP1A2CYP2C9CYP2C19NAAARAB9A
SCHEMBL29560373 0.81 EPHX2 (0.70) CYP1A2CYP2C9CYP2C19RAB9AALDH1A1

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
US-20250152601-A1 Compositions and Methods for the Treatment of Sexual Dysfunctions THE JONATHAN HURT LIVING TRUST (US) 2025-05-15 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
US-6020366-A Butyric acid matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2000-02-01 US disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed