SCHEMBL22254877

SCHEMBL22254877

Cc1ccc(CC(C)N[C@@H]2CCC(N)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.52
▸ ACACB O00763 2/20 0.37
▸ CCNT1 O60563 5/20 0.36
▸ CDK9 P50750 5/20 0.36
▸ CCNE1 P24864 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ CDK4 P11802 2/20 0.36
▸ CCND1 P24385 2/20 0.36
▸ CDK3 Q00526 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ CCNE2 O96020 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL22255193 1.00 SLC6A4 (0.52) SLC6A4ACACBCCNT1CDK9CCNE1
SCHEMBL22254879 1.00 SLC6A4 (0.52) SLC6A4ACACBCCNT1CDK9CCNE1
SCHEMBL25541864 0.88 SLC6A4 (0.52) SLC6A4ACACBCCNT1CDK9CCNE1
SCHEMBL25531150 0.85 SLC6A4 (0.49) SLC6A4ACACBCCNT1CDK9CCNE1
SCHEMBL25541896 0.85 SLC6A4 (0.49) SLC6A4ACACBCCNT1CDK9CCNE1
SCHEMBL25541881 0.85 SLC6A4 (0.49) SLC6A4ACACBCCNT1CDK9CCNE1
SCHEMBL12404706 0.80 SLC6A4 (0.59) SLC6A4ACACBSIGMAR1MEN1KMT2A
SCHEMBL25541894 0.75 SLC6A4 (0.55) SLC6A4ACACBSIGMAR1TRPV1
SCHEMBL22255188 0.75 SIGMAR1 (0.53) SLC6A4ACACBSIGMAR1SMN1; SMN2CYP1A2
SCHEMBL22255184 0.75 SIGMAR1 (0.53) SLC6A4ACACBSIGMAR1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 — — WO disclosed
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