SCHEMBL8498091

SCHEMBL8498091

COC(=O)C1Cc2ccccc2C(=O)N1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.53
▸ HTR2A P28223 3/20 0.43
▸ HTR2C P28335 3/20 0.43
▸ HTR2B P41595 3/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ ANPEP P15144 1/20 0.42
▸ TSHR P16473 2/20 0.39
▸ ACHE P22303 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ DRD2 P14416 2/20 0.38
▸ DRD4 P21917 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38

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
SCHEMBL10851353 1.00 CAPN1 (0.53) CAPN1HTR2AHTR2CHTR2BMMP2
SCHEMBL3799179 0.84 CAPN1 (0.41) CAPN1HTR2AHTR2CHTR2BMMP2
SCHEMBL8498408 0.83 CAPN1 (0.56) CAPN1HTR2AHTR2CHTR2BTSHR
SCHEMBL10855534 0.83 CAPN1 (0.56) CAPN1HTR2AHTR2CHTR2BTSHR
SCHEMBL10854074 0.83 CAPN1 (0.56) CAPN1HTR2AHTR2CHTR2BTSHR
SCHEMBL5847274 0.80 DRD2 (0.48) MMP2ANPEPTSHRDRD2DRD4
SCHEMBL5847272 0.80 DRD2 (0.48) MMP2ANPEPTSHRDRD2DRD4
SCHEMBL5847276 0.80 DRD2 (0.48) MMP2ANPEPTSHRDRD2DRD4
SCHEMBL3566060 0.79 NPC1 (0.41) CAPN1MMP2ANPEPRAB9A
SCHEMBL12992250 0.77 CHEK1 (0.46) MMP2ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952328-A MAY BE USED TO ALLEVIATE, MEDIATE, REDUCE AND/OR PREVENT DISORDERS WHICH ARE ASSOCIATED WITH ABNORMAL AND/OR ABERRANT ACTIVITY OF CYSTEINE PROTEASES AND/OR SERINE PROTEASES CEPHALON, INC. (US) 1999-09-14 — — US disclosed
US-4563306-A CONSCIOUSNESS DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1986-01-07 — — US disclosed
EP-0134582-A2 Novel peptides and process for preparing the same and pharmaceutical composition Tanabe Seiyaku Co., Ltd. (JP) 1985-03-20 — — EP disclosed
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