SCHEMBL11658671

SCHEMBL11658671

CC1(C)CCCC(C)(C)N1N=C(N)Nc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.46
LMNA P02545 3/20 0.43
CYP1A2 P05177 3/20 0.43
ADRA2A P08913 2/20 0.43
CYP2D6 P10635 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNH2 Q12809 2/20 0.43
DRD1 P21728 1/20 0.43
PTGIR P43119 1/20 0.42
NPC1 O15118 3/20 0.40
GBA1 P04062 2/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 0.40
MC4R P32245 2/20 0.40
RAD52 P43351 2/20 0.40
CYP2C19 P33261 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
SCHEMBL11659457 0.85 KMT2A (0.44) ERAP1LMNACYP1A2ADRA2ACYP2D6
SCHEMBL11660165 0.85 EPHX2 (0.40) ERAP1LMNATSHRCNR1SMN1; SMN2
SCHEMBL11660626 0.79 SCN5A (0.44) LMNAKCNH2NPC1SMN1; SMN2MEN1
SCHEMBL2273066 0.70 NPC1 (0.57) LMNACYP1A2ADRA2ACYP2D6SLC6A2
SCHEMBL11657921 0.70 ALDH1A1 (0.37) ERAP1CYP1A2TP53MAPK1CYP2C19
SCHEMBL11662776 0.70 EPHX2 (0.39) LMNAMAPK1TSHRCNR1SMN1; SMN2
SCHEMBL11658668 0.70 EPHX2 (0.39) ERAP1LMNAADRB2TSHRHTT
SCHEMBL11662780 0.69 TSHR (0.36) ERAP1LMNANPC1TSHRSMN1; SMN2
SCHEMBL11879253 0.69 HTR3A (0.62) LMNACYP1A2ADRA2ACYP2D6SLC6A2
SCHEMBL11658427 0.69 GAA (0.44) LMNACYP1A2CYP2D6NPC1TSHR

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
US-4088629-A ADDING A PIPERIDINYL-GUANIDINE BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US disclosed