SCHEMBL7517031

SCHEMBL7517031

COc1ccc2ccccc2c1NC(=O)[C@@H]1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
SUV39H2 Q9H5I1 2/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KHK P50053 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KCNJ11 Q14654 3/20 0.41
ABCC9 O60706 2/20 0.41
ABCC8 Q09428 2/20 0.41
KCNJ8 Q15842 2/20 0.41
ROCK2 O75116 2/20 0.40

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
SCHEMBL19476114 0.84 KCNJ11 (0.44) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL17676977 0.81 ROCK2 (0.50) KHKHTR2CHTR2BKCNJ11ABCC9
SCHEMBL17676985 0.81 ROCK2 (0.50) KHKHTR2CHTR2BKCNJ11ABCC9
SCHEMBL10327184 0.81 ROCK2 (0.50) KHKHTR2CHTR2BKCNJ11ABCC9
SCHEMBL8419535 0.81 KDM4E (0.52) KDM4EMEN1KMT2ACYP1A2CYP3A4
SCHEMBL19476123 0.81 KCNJ11 (0.45) MEN1KMT2ACYP3A4CYP2D6KHK
SCHEMBL9643299 0.81 AAK1 (0.50) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4614497 0.81 AAK1 (0.50) KDM4ECYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19476103 0.78 SMN1; SMN2 (0.63) KDM4EKMT2A
SCHEMBL12348757 0.77 ROCK2 (0.48) KDM4EMEN1KMT2AKHKHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571684-A SOLID PHASE CONJUGATE LITMUS CONCEPTS, INC. (US) 1996-11-05 US claimed
WO-2000065347-A9 MULTIPLE DIAGNOSTIC DEVICE FOR A WOMAN'S HEALTH PROCTER & GAMBLE (US) 2002-02-21 WO disclosed
EP-1173758-A2 MULTIPLE DIAGNOSTIC DEVICE FOR A WOMAN'S HEALTH The Procter & Gamble Company (US) 2002-01-23 EP disclosed
EP-1173759-A2 DISPOSABLE ARTICLES AND OTHER ARTICLES COMPRISING A DETECTION DEVICE THE PROCTER & GAMBLE COMPANY (US) 2002-01-23 EP disclosed
WO-2000065347-A2 MULTIPLE DIAGNOSTIC DEVICE FOR A WOMAN'S HEALTH THE PROCTER & GAMBLE COMPANY (US) 2000-11-02 WO disclosed
WO-2000065348-A2 DISPOSABLE ARTICLES AND OTHER ARTICLES COMPRISING A DETECTION DEVICE THE PROCTER & GAMBLE COMPANY (US) 2000-11-02 WO disclosed
EP-0791071-B1 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS INC (US) 1999-09-15 EP disclosed
EP-0791071-A1 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS, INC. (US) 1997-08-27 EP disclosed
US-5571684-A SOLID PHASE CONJUGATE LITMUS CONCEPTS, INC. (US) 1996-11-05 US disclosed
WO-1996015255-A2 ASSAY FOR PROLINE IMINOPEPTIDASE AND OTHER HYDROLYTIC ACTIVITIES LITMUS CONCEPTS, INC. (US) 1996-05-23 WO disclosed