SCHEMBL5600974

SCHEMBL5600974

Cc1ccccc1Cc1cccc2c1N=N[N]2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
GPR55 Q9Y2T6 2/20 0.35
CNR1 P21554 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
AR P10275 1/20 0.35
CHRM2 P08172 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
P2RX7 Q99572 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.33
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33
RAB9A P51151 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL5602068 0.83 HTR2A (0.39) HPGD
SCHEMBL2264409 0.78 CYP2A6 (0.35) ALDH1A1
SCHEMBL5602541 0.77 GABRA1 (0.40) TAAR1
SCHEMBL5603693 0.74 GRM5 (0.33) ALDH1A1HPGD
SCHEMBL5601076 0.74 NPC1 (0.37) ALDH1A1HPGDNPC1RAB9A
SCHEMBL5603464 0.73 P2RX7 (0.36) TAAR1CYP11B1CYP11B2ARP2RX7
SCHEMBL29477327 0.73 TAAR1 (0.56) CNR2GPR55TAAR1ARCHRM2
SCHEMBL2090458 0.73 TAAR1 (0.56) CNR2GPR55TAAR1ARCHRM2
SCHEMBL5600589 0.72 EGFR (0.35) CNR2GPR55TAAR1ARP2RX7
SCHEMBL5600455 0.71 LIPG (0.35) PTGS2

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-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed