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SCHEMBL6544968

SCHEMBL6544968

CNC(=O)c1cc2c(cc1N(C)C)CN(CC(=O)c1cc(N(C)C)c(OCC#N)c(C(C)(C)C)c1)C2=N

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 6/20 0.39
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
Bromide SCHEMBL1731448 0.99 F2R (0.40) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1729513 0.91 F2R (0.45) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL14449127 0.91 F2R (0.43) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1732639 0.91 F2R (0.44) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1729134 0.90 F2R (0.44) F2RKDM4EMAPTRAB9ANPC1
SCHEMBL14468845 0.90 F2R (0.33) F2R
SCHEMBL14449115 0.90 F2R (0.42) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1732632 0.89 F2R (0.40) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1730798 0.89 F2R (0.42) F2RKDM4EMAPTRAB9ANPC1
Bromide SCHEMBL1729841 0.88 KDM4E (0.35) F2RKDM4EMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 — — US disclosed
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 — — EP disclosed