SCHEMBL7216730

SCHEMBL7216730

C[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.56
▸ HTR2C P28335 9/20 0.56
▸ MAOA P21397 7/20 0.56
▸ KDM1A O60341 5/20 0.56
▸ CYP2C19 P33261 4/20 0.56
▸ CYP2B6 P20813 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ TAAR1 Q96RJ0 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ CYP2A6 P11509 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ DRD3 P35462 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ KCNH2 Q12809 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
SCHEMBL187439 1.00 MAOB (0.56) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL21111934 1.00 MAOB (0.56) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL20195820 1.00 MAOB (0.56) MAOBHTR2CMAOAKDM1ACYP2C19
Ammonia Solution, Strong SCHEMBL266310 0.97 MAOB (0.54) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL9228291 0.91 MAOB (0.48) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL11851470 0.87 MAOB (0.56) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL5682494 0.82 MAOB (0.45) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL5682467 0.82 MAOB (0.45) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL8845464 0.79 MAOB (0.65) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL10540521 0.79 MAOB (0.65) MAOBHTR2CMAOAKDM1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081923-A1 PLATELET-DERIVED GROWTH FACTOR RECEPTOR (PDGFR) ALPHA INHIBITORS AND USES THEREOF Frequency Therapeutics, Inc. (US) 2023-05-11 — — WO disclosed
US-6503898-B1 Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-07 — — US disclosed
EP-0396710-A1 PROCESS FOR THE SELECTIVE EXCITATION OF NMR SIGNALS. SPECTROSPIN AG (CH) 1990-11-14 — — EP disclosed
US-4255595-A Optically active cyclooctenyl ethyl alcohol STUDIENGESELLSCHAFT KOHLE MBH (DE) 1981-03-10 — — US disclosed
US-4152366-A POLYMERIZABLE TO OPTICALLY ACTIVE POLYMERS STUDIENGESELLSCHAFT KOHLE MBH (DE) 1979-05-01 — — US disclosed
US-4098834-A Optically active 3-substituted cyclooctene bicyclo-[6.0.3.]-undecene-3 and exo-2-vinyl norbornane STUDIENGESELLSCHAFT KOHLE MBH (DE) 1978-07-04 — — US disclosed
US-3978147-A NI, LEWIS ACID, PHOSPHINE STUDIENGESELLSCHAFT KOHLE M.B.H (DT) 1976-08-31 — — US disclosed
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