SCHEMBL21065748

SCHEMBL21065748

CCCCN(CCCC)c1ccc(C)cc1.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
CNR2 P34972 2/20 0.42
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
MCHR1 Q99705 1/20 0.39
AR P10275 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL627242 0.98 CYP2C19 (0.45) CYP2C19EGFRERBB2CNR2KCNH2
Lithium Ion SCHEMBL19732617 0.96 CYP2C19 (0.44) CYP2C19EGFRERBB2CNR2KCNH2
SCHEMBL17660030 0.94 EGFR (0.42) CYP2C19EGFRERBB2CNR2KCNH2
SCHEMBL17660035 0.94 EGFR (0.42) CYP2C19EGFRERBB2CNR2KCNH2
SCHEMBL21242480 0.94 CNR2 (0.48) CYP2C19EGFRERBB2CNR2KCNH2
SCHEMBL17660036 0.94 EGFR (0.42) CYP2C19EGFRERBB2CNR2KCNH2
SCHEMBL15682788 0.94 EGFR (0.42) CYP2C19EGFRERBB2CNR2KCNH2
SCHEMBL2493461 0.92 EGFR (0.41) CYP2C19EGFRERBB2CNR2KCNH2
SCHEMBL11313427 0.91 CNR2 (0.49) CYP2C19EGFRERBB2CNR2KCNH2
SCHEMBL22321081 0.89 CNR2 (0.51) CYP2C19CNR2KCNH2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091609-B2 Modified conjugated diene-based polymer, production method thereof, rubber composition and tire ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-08-17 US disclosed
EP-3502144-B1 MODIFIED CONJUGATED DIENE-BASED POLYMER, PRODUCTION METHOD THEREOF, RUBBER COMPOSITION AND TIRE ASAHI CHEMICAL IND (JP) 2021-06-02 EP disclosed
US-20190203021-A1 Modified Conjugated Diene-Based Polymer, Production Method Thereof, Rubber Composition and Tire ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-07-04 US disclosed
EP-3502144-A1 MODIFIED CONJUGATED DIENE POLYMER, METHOD FOR PRODUCING SAME, RUBBER COMPOSITION, AND TIRE ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-06-26 EP disclosed