SCHEMBL26390458

SCHEMBL26390458

CCc1cccc(CCNCCNC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.51
▸ CHRM2 P08172 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ ATM Q13315 2/20 0.47
▸ SIGMAR1 Q99720 4/20 0.43
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40

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
SCHEMBL2911337 0.89 TAAR1 (0.63) TAAR1CHRM2CHRM1CHRM3ATM
SCHEMBL13253641 0.84 MEN1 (0.47) TAAR1CHRM2CHRM1CHRM3ATM
SCHEMBL2906778 0.77 TAAR1 (0.63) TAAR1CHRM2CHRM1CHRM3ATM
SCHEMBL3210964 0.77 MTNR1A (0.48) SIGMAR1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL9490025 0.76 TP53 (0.52) TAAR1TP53CYP1A2MEN1KMT2A
SCHEMBL3052902 0.74 TAAR1 (0.59) TAAR1CHRM2CHRM1CHRM3ATM
SCHEMBL166894 0.73 TP53 (0.61) SIGMAR1MAPTTP53CYP1A2MAPK1
SCHEMBL21257474 0.73 MAPT (0.50) TAAR1SIGMAR1MAPTCYP1A2ALOX15
SCHEMBL7976598 0.73 SIGMAR1 (0.48) SIGMAR1MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL8441355 0.72 KDM4E (0.54) MAPTTP53CYP1A2KDM4E

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
EP-3512842-B1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS INC (US) 2024-01-17 — — EP disclosed
EP-3689868-B1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS INC (US) 2023-09-27 — — EP disclosed
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