SCHEMBL7216192

SCHEMBL7216192

[NH]C[C@H](N)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.73
ANPEP P15144 2/20 0.68
SLC6A2 P23975 2/20 0.54
TAAR1 Q96RJ0 2/20 0.54
MAOA P21397 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
CYP2A6 P11509 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
CYP2D6 P10635 1/20 0.50
LTA4H P09960 1/20 0.49
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL4672040 1.00 EPHX1 (0.73) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL5232841 1.00 EPHX1 (0.73) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL28656 0.85 EPHX1 (1.00) EPHX1ANPEPSLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL9402300 0.82 EPHX1 (0.94) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL6545954 0.82 EPHX1 (0.67) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL1928796 0.81 ANPEP (1.00) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL6805553 0.81 ANPEP (1.00) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL8778520 0.81 EPHX1 (0.73) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL43428 0.81 EPHX1 (0.73) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL859554 0.81 ANPEP (1.00) EPHX1ANPEPSLC6A2TAAR1MAOA

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
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed