SCHEMBL27363701

SCHEMBL27363701

Cc1cnc(N2CCN(CCN3CCN(C)CC3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.45
HRH4 Q9H3N8 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
DHFR P00374 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 4/20 0.42
HSD17B10 Q99714 4/20 0.42
SIGMAR1 Q99720 3/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP2C9 P11712 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL81909 0.91 HRH4 (0.51) HTR3AHRH4LMNAPOLBHDAC3
SCHEMBL17972976 0.86 DHFR (0.49) LMNADHFRSIGMAR1
SCHEMBL27368275 0.85 TAAR1 (0.44) DHFRALDH1A1CYP1A2HSD17B10SIGMAR1
SCHEMBL17973027 0.84 ALOX15 (0.45) DHFRALDH1A1SIGMAR1HTR1A
SCHEMBL19145298 0.84 MEN1 (0.53) DHFRALDH1A1CYP1A2HSD17B10SIGMAR1
SCHEMBL81489 0.84 HRH4 (0.46) HTR3AHRH4LMNAPOLBHDAC3
SCHEMBL8525435 0.81 DHFR (0.48) LMNADHFRALDH1A1
SCHEMBL20463090 0.81 HDAC6 (0.53) DHFRALDH1A1CYP1A2HSD17B10SIGMAR1
SCHEMBL27363464 0.81 CASP1 (0.42) LMNAPOLBDHFRALDH1A1CYP1A2
SCHEMBL27363461 0.81 KCNH2 (0.42) HTR3AHRH4LMNAPOLBHDAC3

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-2024054591-A1 RAPIDLY ACCELERATED FIBROSARCOMA (RAF) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-03-14 WO disclosed