SCHEMBL6964849

SCHEMBL6964849

O=[N+]([O-])c1ccc(CCCCNCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
CHRM2 P08172 2/20 0.72
SIGMAR1 Q99720 7/20 0.68
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
BCHE P06276 1/20 0.56
PTPRF P10586 1/20 0.55
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPN11 Q06124 1/20 0.55
MAOA P21397 1/20 0.54
PKM P14618 1/20 0.53
KDM4E B2RXH2 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
SCHEMBL10477830 0.91 CHRM2 (0.64) MEN1KMT2ACHRM2SIGMAR1HDAC3
SCHEMBL2892762 0.89 MEN1 (0.89) MEN1KMT2ACHRM2HDAC3HDAC1
SCHEMBL9763372 0.86 CHRM2 (0.64) MEN1KMT2ACHRM2SIGMAR1HDAC3
SCHEMBL1163877 0.84 SIGMAR1 (0.65) MEN1KMT2ASIGMAR1PTPRFPTPN2
SCHEMBL1163856 0.84 SIGMAR1 (0.65) MEN1KMT2ASIGMAR1PTPRFPTPN2
SCHEMBL1041853 0.84 MEN1 (0.69) MEN1KMT2ACHRM2CA12CA1
SCHEMBL10045277 0.82 CHRM2 (0.90) MEN1KMT2ACHRM2HDAC3HDAC1
SCHEMBL16681892 0.82 CA1 (0.77) MEN1KMT2ACHRM2HDAC3HDAC1
SCHEMBL6014422 0.82 SIGMAR1 (1.00) MEN1KMT2ACHRM2SIGMAR1BCHE
SCHEMBL15264813 0.81 ALDH1A1 (0.61) MEN1KMT2ASIGMAR1BCHEMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
US-6197975-B1 7-AZABICYCLO(2.2.1)HEPTANE-7-CARBONYL-SUBSTITUTED 2-PHENYLINDOLE DERIVATIVES; SEXUAL DISORDERS; ANTICARCINOGENIC AGENTS MERCK & CO. , INC. 2001-03-06 US disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
EP-0882040-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 1999-02-10 EP disclosed
EP-0882040-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1998-12-09 EP disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
WO-1997021707-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed