SCHEMBL5749895

SCHEMBL5749895

O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.78
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
POLB P06746 1/20 0.72
ALDH1A1 P00352 6/20 0.70
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
CA7 P43166 1/20 0.70
REV1 Q9UBZ9 1/20 0.68
KDM4E B2RXH2 1/20 0.68
THRB P10828 1/20 0.68
LMNA P02545 1/20 0.65
FAAH O00519 1/20 0.64
CHRNB2 P17787 1/20 0.62
CHRNB4 P30926 1/20 0.62
CHRNA3 P32297 1/20 0.62
CHRNA4 P43681 1/20 0.62

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
SCHEMBL5754775 0.87 ALDH1A1 (0.71) ATMMEN1KMT2APOLBALDH1A1
SCHEMBL27562026 0.87 REV1 (0.65) ATMMEN1KMT2AALDH1A1REV1
SCHEMBL5661543 0.86 LTA4H (0.81) ATMMEN1KMT2AALDH1A1KDM4E
SCHEMBL7807313 0.82 ATM (0.90) ATMMEN1KMT2APOLBALDH1A1
SCHEMBL6893687 0.81 ALDH1A1 (0.79) ATMMEN1KMT2APOLBALDH1A1
SCHEMBL13595611 0.81 ATM (0.69) ATMMEN1KMT2APOLBALDH1A1
SCHEMBL5313213 0.79 LTA4H (0.78) ATMMEN1KMT2APOLBALDH1A1
SCHEMBL17731134 0.79 DRD4 (0.67) ATMALDH1A1REV1KDM4ETHRB
SCHEMBL29057517 0.79 ALDH1A1 (0.71) ATMMEN1KMT2AALDH1A1CA1
SCHEMBL13541715 0.78 SMN1; SMN2 (0.59) ATMALDH1A1REV1KDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658280-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2006-05-24 EP disclosed
EP-1099692-B1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2006-05-03 EP disclosed
WO-2005014582-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-02-17 WO disclosed
US-6737425-B1 SUCH AS 1-((4-CYANO-5-METHYL-4-PHENYL)HEXYL)-4-(2-(4-FLUORO -PHENOXY)ETHYL)PIPERAZINE; NERVE SELECTIVE CALCIUM ANTAGONISTS EISAI CO., LTD. (JP) 2004-05-18 US disclosed
EP-1099692-A1 N,N-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2001-05-16 EP disclosed