SCHEMBL8624583

SCHEMBL8624583

COc1ccc2c(c1)c(O)nn2CCCc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.46
HTR6 P50406 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NAMPT P43490 1/20 0.42
PLA2G2A P14555 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
ACP1 P24666 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ESR1 P03372 1/20 0.38
CYP19A1 P11511 1/20 0.38
ESR2 Q92731 1/20 0.38
CALM1 P0DP23 1/20 0.38
ADRB2 P07550 1/20 0.38
ALOX15 P16050 2/20 0.37
IGF1R P08069 1/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL8521495 0.89 PLA2G2A (0.51) HRH1HTR6PLA2G2AMTNR1AMTNR1B
SCHEMBL8627206 0.85 BUB1 (0.44) HRH1HTR6MAOAMAOBNAMPT
SCHEMBL8522112 0.77 LMNA (0.43) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL8627812 0.76 GABRA1 (0.48) PLA2G2ASIGMAR1POLBMEN1KMT2A
SCHEMBL8448659 0.76 CNR1 (0.52) HTR6ALDH1A1POLBMEN1KMT2A
SCHEMBL8444741 0.75 KCNJ1 (0.53) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8628457 0.74 HRH1 (0.52) HRH1HTR6PLA2G2AACP1KDM4E
SCHEMBL8625692 0.74 GABRA1 (0.49) MAOAMAOBKDM4EALDH1A1MEN1
SCHEMBL8448874 0.73 MAPT (0.49) PLA2G2AALDH1A1ADRB2MEN1KMT2A
SCHEMBL8522034 0.72 CNR2 (0.50) HTR6KDM4EALDH1A1

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-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US claimed
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US disclosed