SCHEMBL8570444

SCHEMBL8570444

Fc1ccc(C2CNCCN2Cc2ccccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCA P06881 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GFER P55789 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
CASP6 P55212 1/20 0.41
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
OPRM1 P35372 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
SLC6A4 P31645 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL16644677 0.80 RORC (0.46) DPP4DPP7SLC6A4L3MBTL1CYP2C19
SCHEMBL21105516 0.80 RORC (0.46) DPP4DPP7SLC6A4L3MBTL1CYP2C19
SCHEMBL27923587 0.79 SLC6A4 (0.42) ALDH1A1KDM4ETAAR1CASP6SLC6A4
SCHEMBL9933760 0.78 HRH3 (0.47) ALDH1A1LMNATAAR1CASP6SLC6A4
SCHEMBL9932689 0.78 HRH3 (0.47) ALDH1A1LMNATAAR1CASP6SLC6A4
Hydrochloric Acid SCHEMBL29232435 0.76 LMNA (0.46) ALDH1A1LMNATAAR1CASP6SLC6A4
SCHEMBL28744243 0.75 ALDH1A1 (0.44) ALDH1A1KDM4ELMNATAAR1CASP6
SCHEMBL31752585 0.75 ACVR1 (0.38) CALCALMNATAAR1RAB9ADPP4
SCHEMBL31751949 0.75 ACVR1 (0.38) CALCALMNATAAR1RAB9ADPP4
SCHEMBL31751953 0.75 ACVR1 (0.38) CALCALMNATAAR1RAB9ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716950-A NONTOXIC ANTIALLERGEN AND ANTIASTHMATIC HAVING LOW ANTIHISTAMINIC SIDE EFFECTS NIPPON SHOJI KABUSHIKI KAISHA (JP) 1998-02-10 US disclosed