SCHEMBL8629574

SCHEMBL8629574

NCCCCCCCC(N)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.59
MMP2 P08253 3/20 0.57
ANPEP P15144 1/20 0.52
MAOA P21397 2/20 0.50
CSNK1E P49674 1/20 0.50
SLC6A2 P23975 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP2A6 P11509 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
CPB2 Q96IY4 1/20 0.44

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
SCHEMBL16429100 1.00 EPHX1 (0.59) EPHX1MMP2ANPEPMAOACSNK1E
SCHEMBL16429484 1.00 EPHX1 (0.59) EPHX1MMP2ANPEPMAOACSNK1E
SCHEMBL8639910 1.00 EPHX1 (0.59) EPHX1MMP2ANPEPMAOACSNK1E
Hydrochloric Acid SCHEMBL28198880 0.98 EPHX1 (0.57) EPHX1MMP2ANPEPMAOACSNK1E
Hydrochloric Acid SCHEMBL28199429 0.98 EPHX1 (0.57) EPHX1MMP2ANPEPMAOACSNK1E
SCHEMBL8713206 0.98 EPHX1 (0.61) EPHX1MMP2ANPEPMAOACSNK1E
SCHEMBL28200559 0.92 EPHX1 (0.64) EPHX1MMP2ANPEPMAOASLC6A2
SCHEMBL10202821 0.92 EPHX1 (0.64) EPHX1MMP2ANPEPMAOASLC6A2
SCHEMBL9182651 0.92 EPHX1 (0.70) EPHX1MMP2ANPEPMAOACSNK1E
SCHEMBL27295809 0.92 EPHX1 (0.70) EPHX1MMP2ANPEPMAOACSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753714-A ANTIPROTOZOA AGENTS MERRELL PHARMACEUTICALS INC. (US) 1998-05-19 US disclosed
US-5719193-A Method of potentiating cell-mediated immunity utilizing polyamine derivatives MERRELL PHARMACEUTICALS, INC. (US) 1998-02-17 US disclosed
EP-0399519-A2 Potentiating cell-mediated immunity utilizing polyamine derivatives MERRELL PHARMACEUTICALS INC. (US) 1990-11-28 EP disclosed