SCHEMBL20117055

SCHEMBL20117055

Cc1ccc2c(CCN(C)C)nn(C(C)C)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.34
▸ SYK P43405 1/20 0.34
▸ HRH1 P35367 4/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM5 P08912 2/20 0.33
▸ CHRM1 P11229 2/20 0.33
▸ CHRM3 P20309 2/20 0.33
▸ NR1D1 P20393 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL20117058 0.83 HTR2A (0.37) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL22357752 0.83 HTR1D (0.40) HTR6SYKKCNH2OPRD1HTR4
SCHEMBL20116946 0.81 MPO (0.37) SYKKCNH2CHRM2CHRM1CHRM3
SCHEMBL20117051 0.80 SYK (0.36) SYKNR1I2EGFRADRA2AADORA3
SCHEMBL20117066 0.78 MTNR1A (0.43) NLRP3
SCHEMBL20116565 0.74 GRM4 (0.44) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL27051631 0.71 NR1I2 (0.38) SYKCHRM1NR1I2EGFRADRA2A
SCHEMBL26373750 0.71 NR1I2 (0.38) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL27051630 0.71 RET (0.38) NR1I2EGFRADRA2AADORA3TBXA2R
SCHEMBL20116947 0.68 NR1I2 (0.35) NR1I2EGFRADRA2AADORA3TBXA2R

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
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 — — WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 — — WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 — — WO disclosed
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