SCHEMBL9211745

SCHEMBL9211745

COc1ccccc1CCNC(=NC#N)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
MAPK1 P28482 2/20 0.45
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CNR1 P21554 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL9219735 0.87 MTNR1A (0.50) KMT2AMEN1MTNR1AMTNR1BMAPT
SCHEMBL8750753 0.83 P2RX7 (0.48) KMT2AMEN1MAPK1MAPTGAA
SCHEMBL9214502 0.80 KMT2A (0.61) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL9215021 0.79 HTR1A (0.42) KMT2AMEN1MAPK1TP53MAPT
SCHEMBL9211739 0.79 HTR1A (0.42) KMT2AMEN1MAPK1TP53MAPT
SCHEMBL9502986 0.77 THRB (0.45) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL9211853 0.75 EPHX2 (0.63) KMT2AMEN1ALDH1A1LMNA
SCHEMBL9216085 0.75 RAB9A (0.41) KMT2AMEN1ALDH1A1LMNACYP1A2
SCHEMBL9214044 0.74 MAPT (0.48) KMT2AMEN1MAPK1MAPTGAA
SCHEMBL9211754 0.74 MAPT (0.64) KMT2AMEN1MAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US claimed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP claimed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed